1-(3-chloro-5-propan-2-ylphenyl)propan-2-ol

C12H17ClO — CID 117303457

IUPAC1-(3-chloro-5-propan-2-ylphenyl)propan-2-ol
SMILESCC(O)Cc1cc(Cl)cc(C(C)C)c1
InChIInChI=1S/C12H17ClO/c1-8(2)11-5-10(4-9(3)14)6-12(13)7-11/h5-9,14H,4H2,1-3H3
InChIKeyZVDAGOAZZHTXLG-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.39
Rot. Bonds3

About 1-(3-chloro-5-propan-2-ylphenyl)propan-2-ol

1-(3-chloro-5-propan-2-ylphenyl)propan-2-ol (PubChem CID 117303457) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 1-(3-chloro-5-propan-2-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-5-propan-2-ylphenyl)propan-2-ol
PubChem CID117303457
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name1-(3-chloro-5-propan-2-ylphenyl)propan-2-ol
SMILESCC(O)Cc1cc(Cl)cc(C(C)C)c1
InChIInChI=1S/C12H17ClO/c1-8(2)11-5-10(4-9(3)14)6-12(13)7-11/h5-9,14H,4H2,1-3H3
InChIKeyZVDAGOAZZHTXLG-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-5-propan-2-ylphenyl)-N-methylmethanamine
CID 84774711
1-(3-propan-2-ylphenyl)propan-2-ol
CID 21243708
[3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol
CID 122692713
3-amino-1-(3-chloro-5-propan-2-ylphenyl)propan-1-ol
CID 84791946
(2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid
CID 95001565
(2R)-1-(3,5-dimethylphenyl)propan-2-ol
CID 93461855
5-(2-hydroxypropyl)benzene-1,2,3-triol
CID 141358903
1-(3,5-dichlorophenyl)butan-2-ol
CID 71163653
1-(3-fluoro-5-propan-2-ylphenyl)-3-methylbutan-2-ol
CID 130224243
1-(3-chloro-5-ethylphenyl)ethanamine
CID 84659367
2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid
CID 117305915

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-propan-2-ylphenyl)propan-2-ol?
The IUPAC name of 1-(3-chloro-5-propan-2-ylphenyl)propan-2-ol (CID 117303457) is 1-(3-chloro-5-propan-2-ylphenyl)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-5-propan-2-ylphenyl)propan-2-ol?
The canonical SMILES for 1-(3-chloro-5-propan-2-ylphenyl)propan-2-ol is CC(O)Cc1cc(Cl)cc(C(C)C)c1.
What is the InChIKey of 1-(3-chloro-5-propan-2-ylphenyl)propan-2-ol?
The InChIKey is ZVDAGOAZZHTXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO/c1-8(2)11-5-10(4-9(3)14)6-12(13)7-11/h5-9,14H,4H2,1-3H3.
What are the key properties of 1-(3-chloro-5-propan-2-ylphenyl)propan-2-ol?
1-(3-chloro-5-propan-2-ylphenyl)propan-2-ol has a molecular weight of 212.72 g/mol, XLogP of 3.39, 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-propan-2-ylphenyl)propan-2-ol is sourced from PubChem (CID 117303457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).