3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol

C11H15ClO2 — CID 117305992

IUPAC3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol
SMILESCOc1ccc(C)c(CCCO)c1Cl
InChIInChI=1S/C11H15ClO2/c1-8-5-6-10(14-2)11(12)9(8)4-3-7-13/h5-6,13H,3-4,7H2,1-2H3
InChIKeyPWVRUTYDKRSFFO-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.58
Rot. Bonds4

About 3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol

3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol (PubChem CID 117305992) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol
PubChem CID117305992
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol
SMILESCOc1ccc(C)c(CCCO)c1Cl
InChIInChI=1S/C11H15ClO2/c1-8-5-6-10(14-2)11(12)9(8)4-3-7-13/h5-6,13H,3-4,7H2,1-2H3
InChIKeyPWVRUTYDKRSFFO-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

2-chloro-3-(chloromethyl)-1-methoxy-4-methylbenzene
CID 171008417
3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol
CID 117322230
3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine
CID 84793335
ethyl 2-(2-chloro-3-methoxy-6-methylphenyl)acetate
CID 171005738
3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol
CID 82496131
N-[3-chloro-2-(3-hydroxypropyl)-6-methoxyphenyl]acetamide
CID 117397884
3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol
CID 117363864
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-ol
CID 117363862
2-(3-chloro-2-methoxy-6-methylphenyl)ethanol
CID 117289652
2-(2-methoxy-6-methylphenyl)ethanol
CID 15742838
(2-chloro-6-methoxy-3-methylphenyl)methanamine
CID 84769899
2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol
CID 117300572

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol?
The IUPAC name of 3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol (CID 117305992) is 3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol is COc1ccc(C)c(CCCO)c1Cl.
What is the InChIKey of 3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol?
The InChIKey is PWVRUTYDKRSFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-8-5-6-10(14-2)11(12)9(8)4-3-7-13/h5-6,13H,3-4,7H2,1-2H3.
What are the key properties of 3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol?
3-(2-chloro-3-methoxy-6-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-3-methoxy-6-methylphenyl)propan-1-ol is sourced from PubChem (CID 117305992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).