2-(2-chloro-5-methoxy-3-methylphenyl)propan-2-ol

C11H15ClO2 — CID 117306060

IUPAC2-(2-chloro-5-methoxy-3-methylphenyl)propan-2-ol
SMILESCOc1cc(C)c(Cl)c(C(C)(C)O)c1
InChIInChI=1S/C11H15ClO2/c1-7-5-8(14-4)6-9(10(7)12)11(2,3)13/h5-6,13H,1-4H3
InChIKeyHEKBYJSKSPZQKN-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.88
Rot. Bonds2

About 2-(2-chloro-5-methoxy-3-methylphenyl)propan-2-ol

2-(2-chloro-5-methoxy-3-methylphenyl)propan-2-ol (PubChem CID 117306060) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 2-(2-chloro-5-methoxy-3-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-chloro-5-methoxy-3-methylphenyl)propan-2-ol
PubChem CID117306060
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name2-(2-chloro-5-methoxy-3-methylphenyl)propan-2-ol
SMILESCOc1cc(C)c(Cl)c(C(C)(C)O)c1
InChIInChI=1S/C11H15ClO2/c1-7-5-8(14-4)6-9(10(7)12)11(2,3)13/h5-6,13H,1-4H3
InChIKeyHEKBYJSKSPZQKN-UHFFFAOYSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluoro-5-methoxyphenyl)propan-2-ol
CID 84684226
2-chloro-5-methoxy-3-methylphenol
CID 144544904
5-methoxy-1-[2-(5-methoxy-2,3-dimethylphenyl)propan-2-yl]-2,3-dimethylbenzene
CID 20693410
1-tert-butyl-2,3-dichloro-5-methoxybenzene
CID 121288639
2-chloro-5-methoxy-3-methylbenzoyl chloride
CID 171008342
2-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-2-ol
CID 117329674
2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-6-methylphenol
CID 117300457
2-chloro-4-methoxy-6-methylphenol
CID 122163446
1-(bromomethyl)-2-chloro-5-methoxy-3-methylbenzene
CID 22965884
3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol
CID 117305985
(4-methoxy-2,6-dimethylphenyl)boronic acid
CID 3716303
2,6-ditert-butyl-4-methoxyphenol
CID 10269

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methoxy-3-methylphenyl)propan-2-ol?
The IUPAC name of 2-(2-chloro-5-methoxy-3-methylphenyl)propan-2-ol (CID 117306060) is 2-(2-chloro-5-methoxy-3-methylphenyl)propan-2-ol.
What is the SMILES notation for 2-(2-chloro-5-methoxy-3-methylphenyl)propan-2-ol?
The canonical SMILES for 2-(2-chloro-5-methoxy-3-methylphenyl)propan-2-ol is COc1cc(C)c(Cl)c(C(C)(C)O)c1.
What is the InChIKey of 2-(2-chloro-5-methoxy-3-methylphenyl)propan-2-ol?
The InChIKey is HEKBYJSKSPZQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-7-5-8(14-4)6-9(10(7)12)11(2,3)13/h5-6,13H,1-4H3.
What are the key properties of 2-(2-chloro-5-methoxy-3-methylphenyl)propan-2-ol?
2-(2-chloro-5-methoxy-3-methylphenyl)propan-2-ol has a molecular weight of 214.69 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methoxy-3-methylphenyl)propan-2-ol is sourced from PubChem (CID 117306060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).