2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol

C11H15FO2 — CID 117287969

IUPAC2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol
SMILESCOc1c(C)cc(C(C)CO)cc1F
InChIInChI=1S/C11H15FO2/c1-7-4-9(8(2)6-13)5-10(12)11(7)14-3/h4-5,8,13H,6H2,1-3H3
InChIKeyTVNAYJFFMZBXEN-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.24
Rot. Bonds3

About 2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol

2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol (PubChem CID 117287969) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol
PubChem CID117287969
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol
SMILESCOc1c(C)cc(C(C)CO)cc1F
InChIInChI=1S/C11H15FO2/c1-7-4-9(8(2)6-13)5-10(12)11(7)14-3/h4-5,8,13H,6H2,1-3H3
InChIKeyTVNAYJFFMZBXEN-UHFFFAOYSA-N
XLogP2.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-(3,4,5-trifluorophenyl)propan-1-ol
CID 143774717
2-(4-ethyl-3-fluoro-5-methoxyphenyl)propan-1-ol
CID 117303183
methyl 2-(3-fluoro-4-methoxy-5-methylphenyl)-2-hydroxyacetate
CID 117328416
2-(4-chloro-3,5-difluorophenyl)propan-1-ol
CID 117295346
2-amino-2-(3,5-difluoro-4-methoxyphenyl)ethanol
CID 67609119
(2S)-2-(3-fluoro-5-methoxyphenyl)propan-1-ol
CID 137495631
2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 116964178
5-[4,4-bis(4-methoxy-3,5-dimethylphenyl)butan-2-yl]-2-methoxy-1,3-dimethylbenzene
CID 22900375
2-(2,4,5-trifluoro-3-methoxyphenyl)propan-1-ol
CID 117113623
2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 83833912
3-(3-hydroxy-4-methoxy-5-methylphenyl)butanal
CID 117297473
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol
CID 117337268

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol?
The IUPAC name of 2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol (CID 117287969) is 2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol is COc1c(C)cc(C(C)CO)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol?
The InChIKey is TVNAYJFFMZBXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-7-4-9(8(2)6-13)5-10(12)11(7)14-3/h4-5,8,13H,6H2,1-3H3.
What are the key properties of 2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol?
2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol has a molecular weight of 198.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxy-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 117287969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).