1-(6-chloro-2,3-dimethylphenyl)propan-2-ol

C11H15ClO — CID 117288115

IUPAC1-(6-chloro-2,3-dimethylphenyl)propan-2-ol
SMILESCc1ccc(Cl)c(CC(C)O)c1C
InChIInChI=1S/C11H15ClO/c1-7-4-5-11(12)10(9(7)3)6-8(2)13/h4-5,8,13H,6H2,1-3H3
InChIKeyPHNZKQDYZXZQRI-UHFFFAOYSA-N
MW198.69 g/mol
LogP2.88
Rot. Bonds2

About 1-(6-chloro-2,3-dimethylphenyl)propan-2-ol

1-(6-chloro-2,3-dimethylphenyl)propan-2-ol (PubChem CID 117288115) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 1-(6-chloro-2,3-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(6-chloro-2,3-dimethylphenyl)propan-2-ol
PubChem CID117288115
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name1-(6-chloro-2,3-dimethylphenyl)propan-2-ol
SMILESCc1ccc(Cl)c(CC(C)O)c1C
InChIInChI=1S/C11H15ClO/c1-7-4-5-11(12)10(9(7)3)6-8(2)13/h4-5,8,13H,6H2,1-3H3
InChIKeyPHNZKQDYZXZQRI-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine
CID 117280314
1-(6-chloro-2,3-dimethylphenyl)-N-methylmethanamine
CID 84659371
1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol
CID 117333392
1-(3-chloro-2,6-difluoro-5-methylphenyl)propan-2-ol
CID 117315026
5-chloro-3-(2-hydroxypropyl)-4-methylbenzene-1,2-diol
CID 117308659
3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol
CID 117291165
1-[2-amino-3-(2-hydroxypropyl)-4-methylphenyl]propan-2-ol
CID 174850544
1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine
CID 117288952
2-(2-aminopropyl)-4-chloro-3-methylphenol
CID 117288922
3-(2-hydroxypropyl)-2,6-dimethylphenol
CID 117278413
(1S)-1-(2,6-dichloro-3-methylphenyl)ethanol
CID 143190021
1-(2-chloro-3-methylphenyl)propan-2-ol
CID 117279944

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,3-dimethylphenyl)propan-2-ol?
The IUPAC name of 1-(6-chloro-2,3-dimethylphenyl)propan-2-ol (CID 117288115) is 1-(6-chloro-2,3-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(6-chloro-2,3-dimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(6-chloro-2,3-dimethylphenyl)propan-2-ol is Cc1ccc(Cl)c(CC(C)O)c1C.
What is the InChIKey of 1-(6-chloro-2,3-dimethylphenyl)propan-2-ol?
The InChIKey is PHNZKQDYZXZQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-7-4-5-11(12)10(9(7)3)6-8(2)13/h4-5,8,13H,6H2,1-3H3.
What are the key properties of 1-(6-chloro-2,3-dimethylphenyl)propan-2-ol?
1-(6-chloro-2,3-dimethylphenyl)propan-2-ol has a molecular weight of 198.69 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,3-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 117288115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).