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

C16H17ClO2 — CID 55162570

IUPAC1-(3-chloro-4-methylphenyl)-2-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1CC(O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C16H17ClO2/c1-11-7-8-12(9-14(11)17)15(18)10-13-5-3-4-6-16(13)19-2/h3-9,15,18H,10H2,1-2H3
InChIKeyXNGNYSFQUQDMDP-UHFFFAOYSA-N
MW276.76 g/mol
LogP3.93
Rot. Bonds4

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

1-(3-chloro-4-methylphenyl)-2-(2-methoxyphenyl)ethanol (PubChem CID 55162570) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2-(2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2-(2-methoxyphenyl)ethanol
PubChem CID55162570
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name1-(3-chloro-4-methylphenyl)-2-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1CC(O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C16H17ClO2/c1-11-7-8-12(9-14(11)17)15(18)10-13-5-3-4-6-16(13)19-2/h3-9,15,18H,10H2,1-2H3
InChIKeyXNGNYSFQUQDMDP-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

2-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 61081069
1-(3,4-difluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 61089068
1-(3,5-dichlorophenyl)-2-(2-methoxyphenyl)ethanol
CID 63016213
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 63528444
2-(2-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanol
CID 65026534
2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 102867481
2-(2-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 114977277
2-(2-chloro-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanol
CID 115831204
1-[4-(difluoromethyl)phenyl]-2-(2-methoxyphenyl)ethanol
CID 115524903
1-(4-ethylphenyl)-2-(2-methoxyphenyl)ethanol
CID 61088305
1-(4-tert-butylphenyl)-2-(2-methoxyphenyl)ethanol
CID 61089438
1-(4-fluoro-2-methylphenyl)-2-(2-methoxyphenyl)ethanol
CID 62790475

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(2-methoxyphenyl)ethanol?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(2-methoxyphenyl)ethanol (CID 55162570) is 1-(3-chloro-4-methylphenyl)-2-(2-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2-(2-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2-(2-methoxyphenyl)ethanol is COc1ccccc1CC(O)c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2-(2-methoxyphenyl)ethanol?
The InChIKey is XNGNYSFQUQDMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-11-7-8-12(9-14(11)17)15(18)10-13-5-3-4-6-16(13)19-2/h3-9,15,18H,10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2-(2-methoxyphenyl)ethanol?
1-(3-chloro-4-methylphenyl)-2-(2-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-(3-chloro-4-methylphenyl)-2-(2-methoxyphenyl)ethanol is sourced from PubChem (CID 55162570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).