2-fluoro-6-(3-hydroxypropyl)-4-methylphenol

C10H13FO2 — CID 117279810

IUPAC2-fluoro-6-(3-hydroxypropyl)-4-methylphenol
SMILESCc1cc(F)c(O)c(CCCO)c1
InChIInChI=1S/C10H13FO2/c1-7-5-8(3-2-4-12)10(13)9(11)6-7/h5-6,12-13H,2-4H2,1H3
InChIKeyIZDHOVFTBZTTLC-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.76
Rot. Bonds3

About 2-fluoro-6-(3-hydroxypropyl)-4-methylphenol

2-fluoro-6-(3-hydroxypropyl)-4-methylphenol (PubChem CID 117279810) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-fluoro-6-(3-hydroxypropyl)-4-methylphenol.

Molecular Properties

Compound Name2-fluoro-6-(3-hydroxypropyl)-4-methylphenol
PubChem CID117279810
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name2-fluoro-6-(3-hydroxypropyl)-4-methylphenol
SMILESCc1cc(F)c(O)c(CCCO)c1
InChIInChI=1S/C10H13FO2/c1-7-5-8(3-2-4-12)10(13)9(11)6-7/h5-6,12-13H,2-4H2,1H3
InChIKeyIZDHOVFTBZTTLC-UHFFFAOYSA-N
XLogP1.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-(hydroxymethyl)-4-methylphenol
CID 84650325
2,6-difluoro-4-methylphenol;rutherfordium
CID 59884291
2-(3-hydroxypropyl)-4-methyl-6-phenoxyphenol
CID 151831322
3-(2,5-difluoro-4-methylphenyl)propan-1-ol
CID 117280446
2,3-difluoro-6-(3-hydroxypropyl)phenol
CID 117280989
2-(2-hydroxy-5-methyl-3-pentylphenyl)-4-methyl-6-pentylphenol
CID 20661068
3-(3-chloro-2,5-dimethylphenyl)propan-1-ol
CID 117288127
3-(3-fluoro-2-hydroxy-5-methylphenyl)-2,2-dimethylpropanoic acid
CID 117325436
2-[3-(dimethylamino)propyl]-4,6-difluorophenol
CID 170865567
2-butyl-6-[(3-butyl-2-hydroxy-5-methylphenyl)disulfanyl]-4-methylphenol
CID 139889373
2-butyl-6-(dimethylamino)-4-methylphenol
CID 67848119
3-fluoro-2-hydroxy-5-(3-hydroxypropyl)benzoic acid
CID 117304986

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-hydroxypropyl)-4-methylphenol?
The IUPAC name of 2-fluoro-6-(3-hydroxypropyl)-4-methylphenol (CID 117279810) is 2-fluoro-6-(3-hydroxypropyl)-4-methylphenol.
What is the SMILES notation for 2-fluoro-6-(3-hydroxypropyl)-4-methylphenol?
The canonical SMILES for 2-fluoro-6-(3-hydroxypropyl)-4-methylphenol is Cc1cc(F)c(O)c(CCCO)c1.
What is the InChIKey of 2-fluoro-6-(3-hydroxypropyl)-4-methylphenol?
The InChIKey is IZDHOVFTBZTTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-7-5-8(3-2-4-12)10(13)9(11)6-7/h5-6,12-13H,2-4H2,1H3.
What are the key properties of 2-fluoro-6-(3-hydroxypropyl)-4-methylphenol?
2-fluoro-6-(3-hydroxypropyl)-4-methylphenol has a molecular weight of 184.21 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-hydroxypropyl)-4-methylphenol is sourced from PubChem (CID 117279810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).