5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol

C10H13FO3 — CID 117289240

IUPAC5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol
SMILESCOc1cc(F)cc(O)c1CCCO
InChIInChI=1S/C10H13FO3/c1-14-10-6-7(11)5-9(13)8(10)3-2-4-12/h5-6,12-13H,2-4H2,1H3
InChIKeyMLSHSOWLQISTTP-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.46
Rot. Bonds4

About 5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol

5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol (PubChem CID 117289240) has the molecular formula C10H13FO3 and a molecular weight of 200.21 g/mol. Its IUPAC name is 5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol.

Molecular Properties

Compound Name5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol
PubChem CID117289240
Molecular FormulaC10H13FO3
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol
SMILESCOc1cc(F)cc(O)c1CCCO
InChIInChI=1S/C10H13FO3/c1-14-10-6-7(11)5-9(13)8(10)3-2-4-12/h5-6,12-13H,2-4H2,1H3
InChIKeyMLSHSOWLQISTTP-UHFFFAOYSA-N
XLogP1.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117311669
3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84776163
3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol
CID 117362411
2-fluoro-5-(3-hydroxypropyl)-4-methoxyphenol
CID 117289231
2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol
CID 117447283
2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol
CID 117300572
3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol
CID 117322234
3-(4-ethyl-3-fluoro-5-methoxyphenyl)propan-1-ol
CID 117303122
3-[2-(hydroxymethyl)-4,6-dimethoxyphenyl]propan-1-ol
CID 170887561
3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol
CID 117287894
3-methoxy-2-pentyl-5-propylphenol
CID 134929797
3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol
CID 117322230

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol?
The IUPAC name of 5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol (CID 117289240) is 5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol.
What is the SMILES notation for 5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol?
The canonical SMILES for 5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol is COc1cc(F)cc(O)c1CCCO.
What is the InChIKey of 5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol?
The InChIKey is MLSHSOWLQISTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO3/c1-14-10-6-7(11)5-9(13)8(10)3-2-4-12/h5-6,12-13H,2-4H2,1H3.
What are the key properties of 5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol?
5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol has a molecular weight of 200.21 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-hydroxypropyl)-3-methoxyphenol is sourced from PubChem (CID 117289240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).