1-(2-chloro-3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanol

C17H19ClO3 — CID 63895522

IUPAC1-(2-chloro-3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2ccccc2C)c(Cl)c1OC
InChIInChI=1S/C17H19ClO3/c1-11-6-4-5-7-12(11)10-14(19)13-8-9-15(20-2)17(21-3)16(13)18/h4-9,14,19H,10H2,1-3H3
InChIKeySUFSAYPIJZLKTN-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.94
Rot. Bonds5

About 1-(2-chloro-3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanol

1-(2-chloro-3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanol (PubChem CID 63895522) has the molecular formula C17H19ClO3 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(2-chloro-3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanol
PubChem CID63895522
Molecular FormulaC17H19ClO3
Molecular Weight306.79 g/mol
Exact Mass306.10
IUPAC Name1-(2-chloro-3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2ccccc2C)c(Cl)c1OC
InChIInChI=1S/C17H19ClO3/c1-11-6-4-5-7-12(11)10-14(19)13-8-9-15(20-2)17(21-3)16(13)18/h4-9,14,19H,10H2,1-3H3
InChIKeySUFSAYPIJZLKTN-UHFFFAOYSA-N
XLogP3.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanol
CID 61100911
1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methoxyphenyl)ethanol
CID 103433092
3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol
CID 79138086
1,2-bis(2-methylphenyl)ethanol
CID 60798292
1-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dimethoxybenzene
CID 63016287
1-(2-chloro-3,4-dimethoxyphenyl)-2-propan-2-yloxyethanol
CID 79566842
1-(4-fluoro-2-methylphenyl)-2-(2-methoxyphenyl)ethanol
CID 62790475
1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)ethanol
CID 105394441
4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene
CID 63542851
2-(2,3-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 107308318
3-bromo-1-(2-chloro-3,4-dimethoxyphenyl)propane-1,2-diol
CID 171861224
2-(4-fluoro-2-methylphenyl)-1-(2-methoxyphenyl)ethanol
CID 114346762

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanol?
The IUPAC name of 1-(2-chloro-3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanol (CID 63895522) is 1-(2-chloro-3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanol.
What is the SMILES notation for 1-(2-chloro-3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanol?
The canonical SMILES for 1-(2-chloro-3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanol is COc1ccc(C(O)Cc2ccccc2C)c(Cl)c1OC.
What is the InChIKey of 1-(2-chloro-3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanol?
The InChIKey is SUFSAYPIJZLKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO3/c1-11-6-4-5-7-12(11)10-14(19)13-8-9-15(20-2)17(21-3)16(13)18/h4-9,14,19H,10H2,1-3H3.
What are the key properties of 1-(2-chloro-3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanol?
1-(2-chloro-3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanol has a molecular weight of 306.79 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanol is sourced from PubChem (CID 63895522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).