1-(2-chloro-4-methylphenyl)-5-phenylpentan-2-ol

C18H21ClO — CID 106868054

IUPAC1-(2-chloro-4-methylphenyl)-5-phenylpentan-2-ol
SMILESCc1ccc(CC(O)CCCc2ccccc2)c(Cl)c1
InChIInChI=1S/C18H21ClO/c1-14-10-11-16(18(19)12-14)13-17(20)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-12,17,20H,5,8-9,13H2,1H3
InChIKeyOQLBZHLYNFJVQT-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.57
Rot. Bonds6

About 1-(2-chloro-4-methylphenyl)-5-phenylpentan-2-ol

1-(2-chloro-4-methylphenyl)-5-phenylpentan-2-ol (PubChem CID 106868054) has the molecular formula C18H21ClO and a molecular weight of 288.82 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-5-phenylpentan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-5-phenylpentan-2-ol
PubChem CID106868054
Molecular FormulaC18H21ClO
Molecular Weight288.82 g/mol
Exact Mass288.13
IUPAC Name1-(2-chloro-4-methylphenyl)-5-phenylpentan-2-ol
SMILESCc1ccc(CC(O)CCCc2ccccc2)c(Cl)c1
InChIInChI=1S/C18H21ClO/c1-14-10-11-16(18(19)12-14)13-17(20)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-12,17,20H,5,8-9,13H2,1H3
InChIKeyOQLBZHLYNFJVQT-UHFFFAOYSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)-5-phenylpentan-2-ol
CID 62606393
1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol
CID 106868066
1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol
CID 106867236
1-(5-chloro-2-fluorophenyl)-5-phenylpentan-2-ol
CID 103053443
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol
CID 106867244
1-(2-methoxyphenyl)-5-phenylpentan-2-ol
CID 62606153
1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol
CID 106867250
1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 106867310
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol
CID 106867273
1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106867344

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-5-phenylpentan-2-ol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-5-phenylpentan-2-ol (CID 106868054) is 1-(2-chloro-4-methylphenyl)-5-phenylpentan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-5-phenylpentan-2-ol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-5-phenylpentan-2-ol is Cc1ccc(CC(O)CCCc2ccccc2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-5-phenylpentan-2-ol?
The InChIKey is OQLBZHLYNFJVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO/c1-14-10-11-16(18(19)12-14)13-17(20)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-12,17,20H,5,8-9,13H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-5-phenylpentan-2-ol?
1-(2-chloro-4-methylphenyl)-5-phenylpentan-2-ol has a molecular weight of 288.82 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-5-phenylpentan-2-ol is sourced from PubChem (CID 106868054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).