2-(2-chloro-4-methylphenyl)propan-1-ol

C10H13ClO — CID 117279955

IUPAC2-(2-chloro-4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(C)CO)c(Cl)c1
InChIInChI=1S/C10H13ClO/c1-7-3-4-9(8(2)6-12)10(11)5-7/h3-5,8,12H,6H2,1-2H3
InChIKeyHNPPXHYJCSZUBI-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.74
Rot. Bonds2

About 2-(2-chloro-4-methylphenyl)propan-1-ol

2-(2-chloro-4-methylphenyl)propan-1-ol (PubChem CID 117279955) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)propan-1-ol
PubChem CID117279955
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name2-(2-chloro-4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(C)CO)c(Cl)c1
InChIInChI=1S/C10H13ClO/c1-7-3-4-9(8(2)6-12)10(11)5-7/h3-5,8,12H,6H2,1-2H3
InChIKeyHNPPXHYJCSZUBI-UHFFFAOYSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-(4,4-dimethylpentan-2-yl)-4-methylbenzene
CID 58051292
2-(2-methoxy-4-methylphenyl)propan-1-ol
CID 14432753
2-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol
CID 117291192
(1S)-1-(2-chloro-4-methylphenyl)ethanamine
CID 96956130
(1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine
CID 55273772
(1S)-1-(2-chloro-4-methylphenyl)-3-methylbutan-1-amine
CID 99737671
1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol
CID 83699915
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
1-(2-chloro-4-methylphenyl)-3-methylhexan-1-ol
CID 106859160
diethyl 2-(2-chloro-4-methylphenyl)propanedioate
CID 86045274
2-(6-methylnaphthalen-1-yl)propan-1-ol
CID 105452929
1-(2-chloro-4-methylphenyl)but-3-yn-1-ol
CID 106859596

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)propan-1-ol?
The IUPAC name of 2-(2-chloro-4-methylphenyl)propan-1-ol (CID 117279955) is 2-(2-chloro-4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)propan-1-ol is Cc1ccc(C(C)CO)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)propan-1-ol?
The InChIKey is HNPPXHYJCSZUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-7-3-4-9(8(2)6-12)10(11)5-7/h3-5,8,12H,6H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)propan-1-ol?
2-(2-chloro-4-methylphenyl)propan-1-ol has a molecular weight of 184.67 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)propan-1-ol is sourced from PubChem (CID 117279955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).