(2,4-dichlorophenyl)-(4,5-dimethoxy-2-nitrophenyl)methanol

C15H13Cl2NO5 — CID 3743169

IUPAC(2,4-dichlorophenyl)-(4,5-dimethoxy-2-nitrophenyl)methanol
SMILESCOc1cc(C(O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H13Cl2NO5/c1-22-13-6-10(12(18(20)21)7-14(13)23-2)15(19)9-4-3-8(16)5-11(9)17/h3-7,15,19H,1-2H3
InChIKeySNQKAHZPWQYRCM-UHFFFAOYSA-N
MW358.18 g/mol
LogP4.00
Rot. Bonds5

About (2,4-dichlorophenyl)-(4,5-dimethoxy-2-nitrophenyl)methanol

(2,4-dichlorophenyl)-(4,5-dimethoxy-2-nitrophenyl)methanol (PubChem CID 3743169) has the molecular formula C15H13Cl2NO5 and a molecular weight of 358.18 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(4,5-dimethoxy-2-nitrophenyl)methanol.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(4,5-dimethoxy-2-nitrophenyl)methanol
PubChem CID3743169
Molecular FormulaC15H13Cl2NO5
Molecular Weight358.18 g/mol
Exact Mass357.02
IUPAC Name(2,4-dichlorophenyl)-(4,5-dimethoxy-2-nitrophenyl)methanol
SMILESCOc1cc(C(O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H13Cl2NO5/c1-22-13-6-10(12(18(20)21)7-14(13)23-2)15(19)9-4-3-8(16)5-11(9)17/h3-7,15,19H,1-2H3
InChIKeySNQKAHZPWQYRCM-UHFFFAOYSA-N
XLogP4.00
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4,5-dimethoxy-2-nitrophenyl)-(4-methoxyphenyl)methanol
CID 4598455
(1S)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
CID 916121
(1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
CID 916122
(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
3-(4,5-dimethoxy-2-nitrophenyl)butan-2-ol
CID 83008421
N-[1-(2,4-dichlorophenyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 46654233
2-(4,5-dimethoxy-2-nitrophenyl)-2-hydroxyacetonitrile
CID 171371576
2-amino-2-(4,5-dimethoxy-2-nitrophenyl)acetic acid
CID 53419103
(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61101565
3-(4,5-dimethoxy-2-nitrophenyl)butan-2-amine
CID 83007806
1-(4,5-dimethoxy-2-nitrophenyl)-2-phenylethanol
CID 44630810
(1R)-1-(4,5-dimethoxy-2-nitrophenyl)-2-phenylethanol
CID 7172148

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(4,5-dimethoxy-2-nitrophenyl)methanol?
The IUPAC name of (2,4-dichlorophenyl)-(4,5-dimethoxy-2-nitrophenyl)methanol (CID 3743169) is (2,4-dichlorophenyl)-(4,5-dimethoxy-2-nitrophenyl)methanol.
What is the SMILES notation for (2,4-dichlorophenyl)-(4,5-dimethoxy-2-nitrophenyl)methanol?
The canonical SMILES for (2,4-dichlorophenyl)-(4,5-dimethoxy-2-nitrophenyl)methanol is COc1cc(C(O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC.
What is the InChIKey of (2,4-dichlorophenyl)-(4,5-dimethoxy-2-nitrophenyl)methanol?
The InChIKey is SNQKAHZPWQYRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO5/c1-22-13-6-10(12(18(20)21)7-14(13)23-2)15(19)9-4-3-8(16)5-11(9)17/h3-7,15,19H,1-2H3.
What are the key properties of (2,4-dichlorophenyl)-(4,5-dimethoxy-2-nitrophenyl)methanol?
(2,4-dichlorophenyl)-(4,5-dimethoxy-2-nitrophenyl)methanol has a molecular weight of 358.18 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(4,5-dimethoxy-2-nitrophenyl)methanol is sourced from PubChem (CID 3743169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).