2-(3,4-dichlorophenyl)ethanol;2-(3,4-dimethoxyphenyl)ethanol;3-(3,4-dimethoxyphenyl)propan-1-ol;2-(2-methylphenyl)ethanol;2-(3-methylphenyl)ethanol;2-(4-methylphenyl)ethanol

C56H74Cl2O10 — CID 157148610

IUPAC2-(3,4-dichlorophenyl)ethanol;2-(3,4-dimethoxyphenyl)ethanol;3-(3,4-dimethoxyphenyl)propan-1-ol;2-(2-methylphenyl)ethanol;2-(3-methylphenyl)ethanol;2-(4-methylphenyl)ethanol
SMILESCOc1ccc(CCCO)cc1OC.COc1ccc(CCO)cc1OC.Cc1ccc(CCO)cc1.Cc1cccc(CCO)c1.Cc1ccccc1CCO.OCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H16O3.C10H14O3.3C9H12O.C8H8Cl2O/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2;1-12-9-4-3-8(5-6-11)7-10(9)13-2;1-8-2-4-9(5-3-8)6-7-10;1-8-3-2-4-9(7-8)5-6-10;1-8-4-2-3-5-9(8)6-7-10;9-7-2-1-6(3-4-11)5-8(7)10/h5-6,8,12H,3-4,7H2,1-2H3;3-4,7,11H,5-6H2,1-2H3;2-5,10H,6-7H2,1H3;2-4,7,10H,5-6H2,1H3;2-5,10H,6-7H2,1H3;1-2,5,11H,3-4H2
InChIKeyAKZLUVIQBMFIHX-UHFFFAOYSA-N
MW978.10 g/mol
LogP9.98
Rot. Bonds17

About 2-(3,4-dichlorophenyl)ethanol;2-(3,4-dimethoxyphenyl)ethanol;3-(3,4-dimethoxyphenyl)propan-1-ol;2-(2-methylphenyl)ethanol;2-(3-methylphenyl)ethanol;2-(4-methylphenyl)ethanol

2-(3,4-dichlorophenyl)ethanol;2-(3,4-dimethoxyphenyl)ethanol;3-(3,4-dimethoxyphenyl)propan-1-ol;2-(2-methylphenyl)ethanol;2-(3-methylphenyl)ethanol;2-(4-methylphenyl)ethanol (PubChem CID 157148610) has the molecular formula C56H74Cl2O10 and a molecular weight of 978.10 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)ethanol;2-(3,4-dimethoxyphenyl)ethanol;3-(3,4-dimethoxyphenyl)propan-1-ol;2-(2-methylphenyl)ethanol;2-(3-methylphenyl)ethanol;2-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)ethanol;2-(3,4-dimethoxyphenyl)ethanol;3-(3,4-dimethoxyphenyl)propan-1-ol;2-(2-methylphenyl)ethanol;2-(3-methylphenyl)ethanol;2-(4-methylphenyl)ethanol
PubChem CID157148610
Molecular FormulaC56H74Cl2O10
Molecular Weight978.10 g/mol
Exact Mass976.47
IUPAC Name2-(3,4-dichlorophenyl)ethanol;2-(3,4-dimethoxyphenyl)ethanol;3-(3,4-dimethoxyphenyl)propan-1-ol;2-(2-methylphenyl)ethanol;2-(3-methylphenyl)ethanol;2-(4-methylphenyl)ethanol
SMILESCOc1ccc(CCCO)cc1OC.COc1ccc(CCO)cc1OC.Cc1ccc(CCO)cc1.Cc1cccc(CCO)c1.Cc1ccccc1CCO.OCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H16O3.C10H14O3.3C9H12O.C8H8Cl2O/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2;1-12-9-4-3-8(5-6-11)7-10(9)13-2;1-8-2-4-9(5-3-8)6-7-10;1-8-3-2-4-9(7-8)5-6-10;1-8-4-2-3-5-9(8)6-7-10;9-7-2-1-6(3-4-11)5-8(7)10/h5-6,8,12H,3-4,7H2,1-2H3;3-4,7,11H,5-6H2,1-2H3;2-5,10H,6-7H2,1H3;2-4,7,10H,5-6H2,1H3;2-5,10H,6-7H2,1H3;1-2,5,11H,3-4H2
InChIKeyAKZLUVIQBMFIHX-UHFFFAOYSA-N
XLogP9.98
TPSA158.30 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500978.10
LogP ≤ 59.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 2-(3,4-dichlorophenyl)ethanol;2-(3,4-dimethoxyphenyl)ethanol;3-(3,4-dimethoxyphenyl)propan-1-ol;2-(2-methylphenyl)ethanol;2-(3-methylphenyl)ethanol;2-(4-methylphenyl)ethanol with MolForge

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Related Compounds

1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene
CID 90949774
(4-chlorophenyl)methanamine;(3,4-dichlorophenyl)methanamine;(3,4-dimethoxyphenyl)methanamine;(3-fluorophenyl)methanamine;(4-fluorophenyl)methanamine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;[3-(trifluoromethyl)phenyl]methanamine
CID 162115826
1-methyl-2-[2-(3-methylphenyl)ethyl]benzene
CID 13419836
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;hydrochloride
CID 44522461
4-[5-(3-chloro-4-methylphenyl)-3-methylpentyl]-2-methoxyphenol;4-[5-(3-chlorophenyl)-3-methylpentyl]-2-methoxyphenol;bis(2-methoxy-4-[3-methyl-5-(4-methylphenyl)pentyl]phenol)
CID 158545241
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide
CID 48586355
3-[3-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]propan-1-ol
CID 170887606
[3-methoxy-4-[(2-methylphenyl)methyl]phenyl]methanol
CID 22408163
N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 66531293
N-[(3,4-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 112792441
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
CID 19860206
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
CID 110755878

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)ethanol;2-(3,4-dimethoxyphenyl)ethanol;3-(3,4-dimethoxyphenyl)propan-1-ol;2-(2-methylphenyl)ethanol;2-(3-methylphenyl)ethanol;2-(4-methylphenyl)ethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)ethanol;2-(3,4-dimethoxyphenyl)ethanol;3-(3,4-dimethoxyphenyl)propan-1-ol;2-(2-methylphenyl)ethanol;2-(3-methylphenyl)ethanol;2-(4-methylphenyl)ethanol (CID 157148610) is 2-(3,4-dichlorophenyl)ethanol;2-(3,4-dimethoxyphenyl)ethanol;3-(3,4-dimethoxyphenyl)propan-1-ol;2-(2-methylphenyl)ethanol;2-(3-methylphenyl)ethanol;2-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)ethanol;2-(3,4-dimethoxyphenyl)ethanol;3-(3,4-dimethoxyphenyl)propan-1-ol;2-(2-methylphenyl)ethanol;2-(3-methylphenyl)ethanol;2-(4-methylphenyl)ethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)ethanol;2-(3,4-dimethoxyphenyl)ethanol;3-(3,4-dimethoxyphenyl)propan-1-ol;2-(2-methylphenyl)ethanol;2-(3-methylphenyl)ethanol;2-(4-methylphenyl)ethanol is COc1ccc(CCCO)cc1OC.COc1ccc(CCO)cc1OC.Cc1ccc(CCO)cc1.Cc1cccc(CCO)c1.Cc1ccccc1CCO.OCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)ethanol;2-(3,4-dimethoxyphenyl)ethanol;3-(3,4-dimethoxyphenyl)propan-1-ol;2-(2-methylphenyl)ethanol;2-(3-methylphenyl)ethanol;2-(4-methylphenyl)ethanol?
The InChIKey is AKZLUVIQBMFIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3.C10H14O3.3C9H12O.C8H8Cl2O/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2;1-12-9-4-3-8(5-6-11)7-10(9)13-2;1-8-2-4-9(5-3-8)6-7-10;1-8-3-2-4-9(7-8)5-6-10;1-8-4-2-3-5-9(8)6-7-10;9-7-2-1-6(3-4-11)5-8(7)10/h5-6,8,12H,3-4,7H2,1-2H3;3-4,7,11H,5-6H2,1-2H3;2-5,10H,6-7H2,1H3;2-4,7,10H,5-6H2,1H3;2-5,10H,6-7H2,1H3;1-2,5,11H,3-4H2.
What are the key properties of 2-(3,4-dichlorophenyl)ethanol;2-(3,4-dimethoxyphenyl)ethanol;3-(3,4-dimethoxyphenyl)propan-1-ol;2-(2-methylphenyl)ethanol;2-(3-methylphenyl)ethanol;2-(4-methylphenyl)ethanol?
2-(3,4-dichlorophenyl)ethanol;2-(3,4-dimethoxyphenyl)ethanol;3-(3,4-dimethoxyphenyl)propan-1-ol;2-(2-methylphenyl)ethanol;2-(3-methylphenyl)ethanol;2-(4-methylphenyl)ethanol has a molecular weight of 978.10 g/mol, XLogP of 9.98, 17 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)ethanol;2-(3,4-dimethoxyphenyl)ethanol;3-(3,4-dimethoxyphenyl)propan-1-ol;2-(2-methylphenyl)ethanol;2-(3-methylphenyl)ethanol;2-(4-methylphenyl)ethanol is sourced from PubChem (CID 157148610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).