1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol

C18H21ClO — CID 115781994

IUPAC1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(Cl)cc(C(O)Cc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H21ClO/c1-11-5-13(3)17(14(4)6-11)10-18(20)15-7-12(2)8-16(19)9-15/h5-9,18,20H,10H2,1-4H3
InChIKeyRASZGPLHNWPRGM-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.85
Rot. Bonds3

About 1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol

1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol (PubChem CID 115781994) has the molecular formula C18H21ClO and a molecular weight of 288.82 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
PubChem CID115781994
Molecular FormulaC18H21ClO
Molecular Weight288.82 g/mol
Exact Mass288.13
IUPAC Name1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(Cl)cc(C(O)Cc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H21ClO/c1-11-5-13(3)17(14(4)6-11)10-18(20)15-7-12(2)8-16(19)9-15/h5-9,18,20H,10H2,1-4H3
InChIKeyRASZGPLHNWPRGM-UHFFFAOYSA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-5-methylphenyl)propan-1-ol
CID 115787792
1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781909
1-(3-chloro-5-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377706
1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 107978212
1-(3-chloro-5-methylphenyl)decan-1-ol
CID 115782985
1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 63410710
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol
CID 115779493
1-(3-chloro-5-methylphenyl)-2-ethoxyethanol
CID 115818780
1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084146
1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781937
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
CID 11229524
1-(2-chloro-6-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 63896005

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol (CID 115781994) is 1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol is Cc1cc(Cl)cc(C(O)Cc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is RASZGPLHNWPRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO/c1-11-5-13(3)17(14(4)6-11)10-18(20)15-7-12(2)8-16(19)9-15/h5-9,18,20H,10H2,1-4H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol?
1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 288.82 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 115781994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).