2-chloro-3-(1-hydroxypropan-2-yl)-6-methoxy-4-methylphenol

C11H15ClO3 — CID 117333428

IUPAC2-chloro-3-(1-hydroxypropan-2-yl)-6-methoxy-4-methylphenol
SMILESCOc1cc(C)c(C(C)CO)c(Cl)c1O
InChIInChI=1S/C11H15ClO3/c1-6-4-8(15-3)11(14)10(12)9(6)7(2)5-13/h4,7,13-14H,5H2,1-3H3
InChIKeyBCKRUADEGLVGOY-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.46
Rot. Bonds3

About 2-chloro-3-(1-hydroxypropan-2-yl)-6-methoxy-4-methylphenol

2-chloro-3-(1-hydroxypropan-2-yl)-6-methoxy-4-methylphenol (PubChem CID 117333428) has the molecular formula C11H15ClO3 and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-chloro-3-(1-hydroxypropan-2-yl)-6-methoxy-4-methylphenol.

Molecular Properties

Compound Name2-chloro-3-(1-hydroxypropan-2-yl)-6-methoxy-4-methylphenol
PubChem CID117333428
Molecular FormulaC11H15ClO3
Molecular Weight230.69 g/mol
Exact Mass230.07
IUPAC Name2-chloro-3-(1-hydroxypropan-2-yl)-6-methoxy-4-methylphenol
SMILESCOc1cc(C)c(C(C)CO)c(Cl)c1O
InChIInChI=1S/C11H15ClO3/c1-6-4-8(15-3)11(14)10(12)9(6)7(2)5-13/h4,7,13-14H,5H2,1-3H3
InChIKeyBCKRUADEGLVGOY-UHFFFAOYSA-N
XLogP2.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)propanoic acid
CID 117403338
2-(1-hydroxypropan-2-yl)-3-methoxy-6-methylphenol
CID 117286277
2-(3-chloro-2,6-difluoro-4-methoxyphenyl)propan-1-ol
CID 117345751
2-(2-bromo-3,4-dimethoxy-6-methylphenyl)propan-1-ol
CID 117467053
4-chloro-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol
CID 117306028
2-(3-chloro-2,4-dimethoxy-5-methylphenyl)propan-1-ol
CID 117363911
2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol
CID 117300482
2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol
CID 84693134
2-(2,4,6-trimethylphenyl)propan-1-ol
CID 64989562
2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117339631
5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol
CID 68794132
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol
CID 83938113

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(1-hydroxypropan-2-yl)-6-methoxy-4-methylphenol?
The IUPAC name of 2-chloro-3-(1-hydroxypropan-2-yl)-6-methoxy-4-methylphenol (CID 117333428) is 2-chloro-3-(1-hydroxypropan-2-yl)-6-methoxy-4-methylphenol.
What is the SMILES notation for 2-chloro-3-(1-hydroxypropan-2-yl)-6-methoxy-4-methylphenol?
The canonical SMILES for 2-chloro-3-(1-hydroxypropan-2-yl)-6-methoxy-4-methylphenol is COc1cc(C)c(C(C)CO)c(Cl)c1O.
What is the InChIKey of 2-chloro-3-(1-hydroxypropan-2-yl)-6-methoxy-4-methylphenol?
The InChIKey is BCKRUADEGLVGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3/c1-6-4-8(15-3)11(14)10(12)9(6)7(2)5-13/h4,7,13-14H,5H2,1-3H3.
What are the key properties of 2-chloro-3-(1-hydroxypropan-2-yl)-6-methoxy-4-methylphenol?
2-chloro-3-(1-hydroxypropan-2-yl)-6-methoxy-4-methylphenol has a molecular weight of 230.69 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1-hydroxypropan-2-yl)-6-methoxy-4-methylphenol is sourced from PubChem (CID 117333428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).