(4-chloro-2-methylphenyl)methanol;(5-chloro-2-methylphenyl)methanol;(2,3-dimethoxy-6-methylphenyl)methanol;[4-(dimethylamino)-2-methylphenyl]methanol;[5-(dimethylamino)-2-methylphenyl]methanol;[3-(hydroxymethyl)-5-methoxy-2-methylphenyl]methanol;(2-methoxy-6-methylphenyl)methanol;(5-methoxy-2-methylphenyl)methanol;(2-methyl-4-nitrophenyl)methanol;(2-methyl-5-nitrophenyl)methanol

C90H118Cl2N4O20 — CID 161177313

IUPAC(4-chloro-2-methylphenyl)methanol;(5-chloro-2-methylphenyl)methanol;(2,3-dimethoxy-6-methylphenyl)methanol;[4-(dimethylamino)-2-methylphenyl]methanol;[5-(dimethylamino)-2-methylphenyl]methanol;[3-(hydroxymethyl)-5-methoxy-2-methylphenyl]methanol;(2-methoxy-6-methylphenyl)methanol;(5-methoxy-2-methylphenyl)methanol;(2-methyl-4-nitrophenyl)methanol;(2-methyl-5-nitrophenyl)methanol
SMILESCOc1cc(CO)c(C)c(CO)c1.COc1ccc(C)c(CO)c1.COc1ccc(C)c(CO)c1OC.COc1cccc(C)c1CO.Cc1cc(Cl)ccc1CO.Cc1cc(N(C)C)ccc1CO.Cc1cc([N+](=O)[O-])ccc1CO.Cc1ccc(Cl)cc1CO.Cc1ccc(N(C)C)cc1CO.Cc1ccc([N+](=O)[O-])cc1CO
InChIInChI=1S/2C10H15NO.2C10H14O3.2C9H12O2.2C8H9ClO.2C8H9NO3/c1-8-6-10(11(2)3)5-4-9(8)7-12;1-8-4-5-10(11(2)3)6-9(8)7-12;1-7-8(5-11)3-10(13-2)4-9(7)6-12;1-7-4-5-9(12-2)10(13-3)8(7)6-11;1-7-3-4-9(11-2)5-8(7)6-10;1-7-4-3-5-9(11-2)8(7)6-10;1-6-4-8(9)3-2-7(6)5-10;1-6-2-3-8(9)4-7(6)5-10;1-6-4-8(9(11)12)3-2-7(6)5-10;1-6-2-3-8(9(11)12)4-7(6)5-10/h2*4-6,12H,7H2,1-3H3;3-4,11-12H,5-6H2,1-2H3;4-5,11H,6H2,1-3H3;2*3-5,10H,6H2,1-2H3;2*2-4,10H,5H2,1H3;2*2-4,10H,5H2,1H3
InChIKeyURZGMSRIAIEUAA-UHFFFAOYSA-N
MW1646.85 g/mol
LogP15.66
Rot. Bonds20

About (4-chloro-2-methylphenyl)methanol;(5-chloro-2-methylphenyl)methanol;(2,3-dimethoxy-6-methylphenyl)methanol;[4-(dimethylamino)-2-methylphenyl]methanol;[5-(dimethylamino)-2-methylphenyl]methanol;[3-(hydroxymethyl)-5-methoxy-2-methylphenyl]methanol;(2-methoxy-6-methylphenyl)methanol;(5-methoxy-2-methylphenyl)methanol;(2-methyl-4-nitrophenyl)methanol;(2-methyl-5-nitrophenyl)methanol

(4-chloro-2-methylphenyl)methanol;(5-chloro-2-methylphenyl)methanol;(2,3-dimethoxy-6-methylphenyl)methanol;[4-(dimethylamino)-2-methylphenyl]methanol;[5-(dimethylamino)-2-methylphenyl]methanol;[3-(hydroxymethyl)-5-methoxy-2-methylphenyl]methanol;(2-methoxy-6-methylphenyl)methanol;(5-methoxy-2-methylphenyl)methanol;(2-methyl-4-nitrophenyl)methanol;(2-methyl-5-nitrophenyl)methanol (PubChem CID 161177313) has the molecular formula C90H118Cl2N4O20 and a molecular weight of 1646.85 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl)methanol;(5-chloro-2-methylphenyl)methanol;(2,3-dimethoxy-6-methylphenyl)methanol;[4-(dimethylamino)-2-methylphenyl]methanol;[5-(dimethylamino)-2-methylphenyl]methanol;[3-(hydroxymethyl)-5-methoxy-2-methylphenyl]methanol;(2-methoxy-6-methylphenyl)methanol;(5-methoxy-2-methylphenyl)methanol;(2-methyl-4-nitrophenyl)methanol;(2-methyl-5-nitrophenyl)methanol.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl)methanol;(5-chloro-2-methylphenyl)methanol;(2,3-dimethoxy-6-methylphenyl)methanol;[4-(dimethylamino)-2-methylphenyl]methanol;[5-(dimethylamino)-2-methylphenyl]methanol;[3-(hydroxymethyl)-5-methoxy-2-methylphenyl]methanol;(2-methoxy-6-methylphenyl)methanol;(5-methoxy-2-methylphenyl)methanol;(2-methyl-4-nitrophenyl)methanol;(2-methyl-5-nitrophenyl)methanol
PubChem CID161177313
Molecular FormulaC90H118Cl2N4O20
Molecular Weight1646.85 g/mol
Exact Mass1644.77
IUPAC Name(4-chloro-2-methylphenyl)methanol;(5-chloro-2-methylphenyl)methanol;(2,3-dimethoxy-6-methylphenyl)methanol;[4-(dimethylamino)-2-methylphenyl]methanol;[5-(dimethylamino)-2-methylphenyl]methanol;[3-(hydroxymethyl)-5-methoxy-2-methylphenyl]methanol;(2-methoxy-6-methylphenyl)methanol;(5-methoxy-2-methylphenyl)methanol;(2-methyl-4-nitrophenyl)methanol;(2-methyl-5-nitrophenyl)methanol
SMILESCOc1cc(CO)c(C)c(CO)c1.COc1ccc(C)c(CO)c1.COc1ccc(C)c(CO)c1OC.COc1cccc(C)c1CO.Cc1cc(Cl)ccc1CO.Cc1cc(N(C)C)ccc1CO.Cc1cc([N+](=O)[O-])ccc1CO.Cc1ccc(Cl)cc1CO.Cc1ccc(N(C)C)cc1CO.Cc1ccc([N+](=O)[O-])cc1CO
InChIInChI=1S/2C10H15NO.2C10H14O3.2C9H12O2.2C8H9ClO.2C8H9NO3/c1-8-6-10(11(2)3)5-4-9(8)7-12;1-8-4-5-10(11(2)3)6-9(8)7-12;1-7-8(5-11)3-10(13-2)4-9(7)6-12;1-7-4-5-9(12-2)10(13-3)8(7)6-11;1-7-3-4-9(11-2)5-8(7)6-10;1-7-4-3-5-9(11-2)8(7)6-10;1-6-4-8(9)3-2-7(6)5-10;1-6-2-3-8(9)4-7(6)5-10;1-6-4-8(9(11)12)3-2-7(6)5-10;1-6-2-3-8(9(11)12)4-7(6)5-10/h2*4-6,12H,7H2,1-3H3;3-4,11-12H,5-6H2,1-2H3;4-5,11H,6H2,1-3H3;2*3-5,10H,6H2,1-2H3;2*2-4,10H,5H2,1H3;2*2-4,10H,5H2,1H3
InChIKeyURZGMSRIAIEUAA-UHFFFAOYSA-N
XLogP15.66
TPSA361.44 Ų
H-Bond Donors11
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001646.85
LogP ≤ 515.66
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4-chloro-2-methylphenyl)methanol;(5-chloro-2-methylphenyl)methanol;(2,3-dimethoxy-6-methylphenyl)methanol;[4-(dimethylamino)-2-methylphenyl]methanol;[5-(dimethylamino)-2-methylphenyl]methanol;[3-(hydroxymethyl)-5-methoxy-2-methylphenyl]methanol;(2-methoxy-6-methylphenyl)methanol;(5-methoxy-2-methylphenyl)methanol;(2-methyl-4-nitrophenyl)methanol;(2-methyl-5-nitrophenyl)methanol with MolForge

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Related Compounds

[4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanol
CID 114846141
[5-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanol
CID 114846138
[2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol
CID 61031935
ethane;2-[(3-methoxyphenyl)methyl]-1-methyl-4-nitrobenzene
CID 142085537
[5-methoxy-2-[(3-nitrophenyl)methoxy]phenyl]methanol
CID 43267995
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(dimethylamino)-N-methyl-5-nitrobenzamide
CID 33163705
4-methoxy-1-methyl-2-[(4-nitrophenyl)methyl]benzene
CID 173081709
2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene
CID 83044556
2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
CID 7936274
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 26726400
2-[2-(bromomethyl)-4-nitrophenoxy]-4-chloro-1-methylbenzene
CID 107088797
1-(4-chlorophenyl)-N-[(2-methoxy-5-nitrophenyl)methyl]-N-methylmethanamine
CID 26515521

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl)methanol;(5-chloro-2-methylphenyl)methanol;(2,3-dimethoxy-6-methylphenyl)methanol;[4-(dimethylamino)-2-methylphenyl]methanol;[5-(dimethylamino)-2-methylphenyl]methanol;[3-(hydroxymethyl)-5-methoxy-2-methylphenyl]methanol;(2-methoxy-6-methylphenyl)methanol;(5-methoxy-2-methylphenyl)methanol;(2-methyl-4-nitrophenyl)methanol;(2-methyl-5-nitrophenyl)methanol?
The IUPAC name of (4-chloro-2-methylphenyl)methanol;(5-chloro-2-methylphenyl)methanol;(2,3-dimethoxy-6-methylphenyl)methanol;[4-(dimethylamino)-2-methylphenyl]methanol;[5-(dimethylamino)-2-methylphenyl]methanol;[3-(hydroxymethyl)-5-methoxy-2-methylphenyl]methanol;(2-methoxy-6-methylphenyl)methanol;(5-methoxy-2-methylphenyl)methanol;(2-methyl-4-nitrophenyl)methanol;(2-methyl-5-nitrophenyl)methanol (CID 161177313) is (4-chloro-2-methylphenyl)methanol;(5-chloro-2-methylphenyl)methanol;(2,3-dimethoxy-6-methylphenyl)methanol;[4-(dimethylamino)-2-methylphenyl]methanol;[5-(dimethylamino)-2-methylphenyl]methanol;[3-(hydroxymethyl)-5-methoxy-2-methylphenyl]methanol;(2-methoxy-6-methylphenyl)methanol;(5-methoxy-2-methylphenyl)methanol;(2-methyl-4-nitrophenyl)methanol;(2-methyl-5-nitrophenyl)methanol.
What is the SMILES notation for (4-chloro-2-methylphenyl)methanol;(5-chloro-2-methylphenyl)methanol;(2,3-dimethoxy-6-methylphenyl)methanol;[4-(dimethylamino)-2-methylphenyl]methanol;[5-(dimethylamino)-2-methylphenyl]methanol;[3-(hydroxymethyl)-5-methoxy-2-methylphenyl]methanol;(2-methoxy-6-methylphenyl)methanol;(5-methoxy-2-methylphenyl)methanol;(2-methyl-4-nitrophenyl)methanol;(2-methyl-5-nitrophenyl)methanol?
The canonical SMILES for (4-chloro-2-methylphenyl)methanol;(5-chloro-2-methylphenyl)methanol;(2,3-dimethoxy-6-methylphenyl)methanol;[4-(dimethylamino)-2-methylphenyl]methanol;[5-(dimethylamino)-2-methylphenyl]methanol;[3-(hydroxymethyl)-5-methoxy-2-methylphenyl]methanol;(2-methoxy-6-methylphenyl)methanol;(5-methoxy-2-methylphenyl)methanol;(2-methyl-4-nitrophenyl)methanol;(2-methyl-5-nitrophenyl)methanol is COc1cc(CO)c(C)c(CO)c1.COc1ccc(C)c(CO)c1.COc1ccc(C)c(CO)c1OC.COc1cccc(C)c1CO.Cc1cc(Cl)ccc1CO.Cc1cc(N(C)C)ccc1CO.Cc1cc([N+](=O)[O-])ccc1CO.Cc1ccc(Cl)cc1CO.Cc1ccc(N(C)C)cc1CO.Cc1ccc([N+](=O)[O-])cc1CO.
What is the InChIKey of (4-chloro-2-methylphenyl)methanol;(5-chloro-2-methylphenyl)methanol;(2,3-dimethoxy-6-methylphenyl)methanol;[4-(dimethylamino)-2-methylphenyl]methanol;[5-(dimethylamino)-2-methylphenyl]methanol;[3-(hydroxymethyl)-5-methoxy-2-methylphenyl]methanol;(2-methoxy-6-methylphenyl)methanol;(5-methoxy-2-methylphenyl)methanol;(2-methyl-4-nitrophenyl)methanol;(2-methyl-5-nitrophenyl)methanol?
The InChIKey is URZGMSRIAIEUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15NO.2C10H14O3.2C9H12O2.2C8H9ClO.2C8H9NO3/c1-8-6-10(11(2)3)5-4-9(8)7-12;1-8-4-5-10(11(2)3)6-9(8)7-12;1-7-8(5-11)3-10(13-2)4-9(7)6-12;1-7-4-5-9(12-2)10(13-3)8(7)6-11;1-7-3-4-9(11-2)5-8(7)6-10;1-7-4-3-5-9(11-2)8(7)6-10;1-6-4-8(9)3-2-7(6)5-10;1-6-2-3-8(9)4-7(6)5-10;1-6-4-8(9(11)12)3-2-7(6)5-10;1-6-2-3-8(9(11)12)4-7(6)5-10/h2*4-6,12H,7H2,1-3H3;3-4,11-12H,5-6H2,1-2H3;4-5,11H,6H2,1-3H3;2*3-5,10H,6H2,1-2H3;2*2-4,10H,5H2,1H3;2*2-4,10H,5H2,1H3.
What are the key properties of (4-chloro-2-methylphenyl)methanol;(5-chloro-2-methylphenyl)methanol;(2,3-dimethoxy-6-methylphenyl)methanol;[4-(dimethylamino)-2-methylphenyl]methanol;[5-(dimethylamino)-2-methylphenyl]methanol;[3-(hydroxymethyl)-5-methoxy-2-methylphenyl]methanol;(2-methoxy-6-methylphenyl)methanol;(5-methoxy-2-methylphenyl)methanol;(2-methyl-4-nitrophenyl)methanol;(2-methyl-5-nitrophenyl)methanol?
(4-chloro-2-methylphenyl)methanol;(5-chloro-2-methylphenyl)methanol;(2,3-dimethoxy-6-methylphenyl)methanol;[4-(dimethylamino)-2-methylphenyl]methanol;[5-(dimethylamino)-2-methylphenyl]methanol;[3-(hydroxymethyl)-5-methoxy-2-methylphenyl]methanol;(2-methoxy-6-methylphenyl)methanol;(5-methoxy-2-methylphenyl)methanol;(2-methyl-4-nitrophenyl)methanol;(2-methyl-5-nitrophenyl)methanol has a molecular weight of 1646.85 g/mol, XLogP of 15.66, 20 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl)methanol;(5-chloro-2-methylphenyl)methanol;(2,3-dimethoxy-6-methylphenyl)methanol;[4-(dimethylamino)-2-methylphenyl]methanol;[5-(dimethylamino)-2-methylphenyl]methanol;[3-(hydroxymethyl)-5-methoxy-2-methylphenyl]methanol;(2-methoxy-6-methylphenyl)methanol;(5-methoxy-2-methylphenyl)methanol;(2-methyl-4-nitrophenyl)methanol;(2-methyl-5-nitrophenyl)methanol is sourced from PubChem (CID 161177313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).