2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol

C11H14ClFO2 — CID 117337268

IUPAC2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol
SMILESCOc1c(Cl)cc(F)c(C)c1C(C)CO
InChIInChI=1S/C11H14ClFO2/c1-6(5-14)10-7(2)9(13)4-8(12)11(10)15-3/h4,6,14H,5H2,1-3H3
InChIKeyVDKXJKJCOCNTEL-UHFFFAOYSA-N
MW232.68 g/mol
LogP2.89
Rot. Bonds3

About 2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol

2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol (PubChem CID 117337268) has the molecular formula C11H14ClFO2 and a molecular weight of 232.68 g/mol. Its IUPAC name is 2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol
PubChem CID117337268
Molecular FormulaC11H14ClFO2
Molecular Weight232.68 g/mol
Exact Mass232.07
IUPAC Name2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol
SMILESCOc1c(Cl)cc(F)c(C)c1C(C)CO
InChIInChI=1S/C11H14ClFO2/c1-6(5-14)10-7(2)9(13)4-8(12)11(10)15-3/h4,6,14H,5H2,1-3H3
InChIKeyVDKXJKJCOCNTEL-UHFFFAOYSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-fluoro-2-methoxy-6-methylphenol
CID 84662913
5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol
CID 117341372
2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol
CID 117363900
1-chloro-5-fluoro-4-methoxy-2-methyl-3-propan-2-ylbenzene
CID 130224423
2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol
CID 117345755
3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene
CID 84707952
2-amino-2-(3-chloro-5-fluoro-2,6-dimethylphenyl)ethanol
CID 84785836
2-(3-chloro-2,6-difluoro-4-methoxyphenyl)propan-1-ol
CID 117345751
1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)ethanamine
CID 84683281
2-(1-aminopropan-2-yl)-6-chloro-4-fluoro-3-methylphenol
CID 117310420
2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol
CID 117287969
1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one
CID 84694021

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol?
The IUPAC name of 2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol (CID 117337268) is 2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol is COc1c(Cl)cc(F)c(C)c1C(C)CO.
What is the InChIKey of 2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol?
The InChIKey is VDKXJKJCOCNTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO2/c1-6(5-14)10-7(2)9(13)4-8(12)11(10)15-3/h4,6,14H,5H2,1-3H3.
What are the key properties of 2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol?
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol has a molecular weight of 232.68 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol is sourced from PubChem (CID 117337268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).