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

C16H17ClO — CID 114028154

IUPAC1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)ethanol
SMILESCc1cccc(CC(O)c2ccc(Cl)cc2C)c1
InChIInChI=1S/C16H17ClO/c1-11-4-3-5-13(8-11)10-16(18)15-7-6-14(17)9-12(15)2/h3-9,16,18H,10H2,1-2H3
InChIKeyIEGBDTPEDMSZKH-UHFFFAOYSA-N
MW260.76 g/mol
LogP4.23
Rot. Bonds3

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

1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)ethanol (PubChem CID 114028154) has the molecular formula C16H17ClO and a molecular weight of 260.76 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)ethanol
PubChem CID114028154
Molecular FormulaC16H17ClO
Molecular Weight260.76 g/mol
Exact Mass260.10
IUPAC Name1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)ethanol
SMILESCc1cccc(CC(O)c2ccc(Cl)cc2C)c1
InChIInChI=1S/C16H17ClO/c1-11-4-3-5-13(8-11)10-16(18)15-7-6-14(17)9-12(15)2/h3-9,16,18H,10H2,1-2H3
InChIKeyIEGBDTPEDMSZKH-UHFFFAOYSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol
CID 106689706
1-(2,3-dichlorophenyl)-2-(3-methylphenyl)ethanol
CID 62792001
4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene
CID 82890883
1-(2,4-dichlorophenyl)-2-(3-methylphenyl)ethanamine
CID 62387674
2-(3-chlorophenyl)-1-(4-methyl-3-pyridinyl)ethanol
CID 66271614
2-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene
CID 114025132
3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid
CID 104880183
2-(3-chlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62387586
1-(4-chloro-2-methylphenyl)but-3-en-1-ol
CID 2757691
1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol
CID 81488822
1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol
CID 105093937
3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 83972824

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)ethanol?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)ethanol (CID 114028154) is 1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)ethanol?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)ethanol is Cc1cccc(CC(O)c2ccc(Cl)cc2C)c1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)ethanol?
The InChIKey is IEGBDTPEDMSZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO/c1-11-4-3-5-13(8-11)10-16(18)15-7-6-14(17)9-12(15)2/h3-9,16,18H,10H2,1-2H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)ethanol?
1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)ethanol has a molecular weight of 260.76 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)ethanol is sourced from PubChem (CID 114028154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).