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

C16H17ClO2 — CID 106863705

IUPAC1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2ccc(C)cc2Cl)cc1
InChIInChI=1S/C16H17ClO2/c1-11-3-8-14(15(17)9-11)16(18)10-12-4-6-13(19-2)7-5-12/h3-9,16,18H,10H2,1-2H3
InChIKeyVVUGFZROXHFPFU-UHFFFAOYSA-N
MW276.76 g/mol
LogP3.93
Rot. Bonds4

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

1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol (PubChem CID 106863705) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
PubChem CID106863705
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2ccc(C)cc2Cl)cc1
InChIInChI=1S/C16H17ClO2/c1-11-3-8-14(15(17)9-11)16(18)10-12-4-6-13(19-2)7-5-12/h3-9,16,18H,10H2,1-2H3
InChIKeyVVUGFZROXHFPFU-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63017689
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 106859115
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol
CID 61081417
2-(4-chlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 61081695
1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol
CID 106859457
(2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine
CID 106856981
4-bromo-1-[1-bromo-2-(4-methoxyphenyl)ethyl]-2-chlorobenzene
CID 63542411
1-(2,6-dichlorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63018440
1-(2-chloro-4,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 115483724
1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107312550
2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 63047363

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol (CID 106863705) is 1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol is COc1ccc(CC(O)c2ccc(C)cc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol?
The InChIKey is VVUGFZROXHFPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-11-3-8-14(15(17)9-11)16(18)10-12-4-6-13(19-2)7-5-12/h3-9,16,18H,10H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol?
1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol has a molecular weight of 276.76 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 106863705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).