3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol

C11H15ClO2 — CID 117305985

IUPAC3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol
SMILESCOc1cc(C)c(Cl)c(CCCO)c1
InChIInChI=1S/C11H15ClO2/c1-8-6-10(14-2)7-9(11(8)12)4-3-5-13/h6-7,13H,3-5H2,1-2H3
InChIKeyYOUNPFXAXKDTCT-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.58
Rot. Bonds4

About 3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol

3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol (PubChem CID 117305985) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol
PubChem CID117305985
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol
SMILESCOc1cc(C)c(Cl)c(CCCO)c1
InChIInChI=1S/C11H15ClO2/c1-8-6-10(14-2)7-9(11(8)12)4-3-5-13/h6-7,13H,3-5H2,1-2H3
InChIKeyYOUNPFXAXKDTCT-UHFFFAOYSA-N
XLogP2.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(bromomethyl)-2-chloro-5-methoxy-3-methylbenzene
CID 22965884
3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117311669
3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol
CID 170887561
3-(3-chloro-5-methoxyphenyl)propan-1-ol
CID 117289609
2-chloro-5-methoxy-3-methylphenol
CID 144544904
2-chloro-5-methoxy-3-methylbenzoyl chloride
CID 171008342
ethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol
CID 91115975
3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)propan-1-ol
CID 117400675
5-(5-chloro-2-methoxy-4-methylphenyl)pentan-1-ol
CID 98015509
3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol
CID 117305992
3-(5-tert-butyl-2-methoxy-3-methylphenyl)propan-1-ol
CID 21199608
5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol
CID 117308657

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol?
The IUPAC name of 3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol (CID 117305985) is 3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol is COc1cc(C)c(Cl)c(CCCO)c1.
What is the InChIKey of 3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol?
The InChIKey is YOUNPFXAXKDTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-8-6-10(14-2)7-9(11(8)12)4-3-5-13/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol?
3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol has a molecular weight of 214.69 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol is sourced from PubChem (CID 117305985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).