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

C11H15FO2 — CID 117287894

IUPAC3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol
SMILESCOc1cc(CCCO)cc(C)c1F
InChIInChI=1S/C11H15FO2/c1-8-6-9(4-3-5-13)7-10(14-2)11(8)12/h6-7,13H,3-5H2,1-2H3
InChIKeyWQJOKCZOIMUVHN-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.07
Rot. Bonds4

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

3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol (PubChem CID 117287894) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol
PubChem CID117287894
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol
SMILESCOc1cc(CCCO)cc(C)c1F
InChIInChI=1S/C11H15FO2/c1-8-6-9(4-3-5-13)7-10(14-2)11(8)12/h6-7,13H,3-5H2,1-2H3
InChIKeyWQJOKCZOIMUVHN-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-[2-(4-fluoro-3-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288456
3-(4-ethyl-3-fluoro-5-methoxyphenyl)propan-1-ol
CID 117303122
2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid
CID 117287612
3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol
CID 117362411
2-(3,4-dimethoxy-5-methylphenyl)ethanol
CID 117286355
2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
CID 162036765
2-[4-(3-hydroxypropyl)-2,6-dimethoxyphenoxy]propane-1,3-diol
CID 11652150
3-(4-amino-3,5-dimethylphenyl)propan-1-ol
CID 22472438
3-(4-bromo-3,5-dimethylphenyl)propan-1-ol;ethane
CID 144566079
5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol
CID 117289240
3-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
CID 117328430
4-(3-chloro-4-fluoro-5-methoxyphenyl)butanoic acid
CID 117369145

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol?
The IUPAC name of 3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol (CID 117287894) is 3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol is COc1cc(CCCO)cc(C)c1F.
What is the InChIKey of 3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol?
The InChIKey is WQJOKCZOIMUVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-8-6-9(4-3-5-13)7-10(14-2)11(8)12/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol?
3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol has a molecular weight of 198.24 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol is sourced from PubChem (CID 117287894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).