(2-fluoro-4-methylphenyl)methanediol

C8H9FO2 — CID 129136979

IUPAC(2-fluoro-4-methylphenyl)methanediol
SMILESCc1ccc(C(O)O)c(F)c1
InChIInChI=1S/C8H9FO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,8,10-11H,1H3
InChIKeyLDZSUZDDBXQQAH-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.12
Rot. Bonds1

About (2-fluoro-4-methylphenyl)methanediol

(2-fluoro-4-methylphenyl)methanediol (PubChem CID 129136979) has the molecular formula C8H9FO2 and a molecular weight of 156.16 g/mol. Its IUPAC name is (2-fluoro-4-methylphenyl)methanediol.

Molecular Properties

Compound Name(2-fluoro-4-methylphenyl)methanediol
PubChem CID129136979
Molecular FormulaC8H9FO2
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Name(2-fluoro-4-methylphenyl)methanediol
SMILESCc1ccc(C(O)O)c(F)c1
InChIInChI=1S/C8H9FO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,8,10-11H,1H3
InChIKeyLDZSUZDDBXQQAH-UHFFFAOYSA-N
XLogP1.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-4-methylphenyl)prop-2-en-1-ol
CID 115814697
(2,4-difluorophenyl)methanediol
CID 91089962
1-(2-fluoro-4-methylphenyl)pentan-1-ol
CID 115783255
(1S,2R)-1-amino-1-(2-fluoro-4-methylphenyl)butan-2-ol
CID 130683149
cyclobutyl-(2-fluoro-4-methylphenyl)methanol
CID 115837888
(2-fluoro-4-methylphenyl)-pyridin-4-ylmethanol
CID 23294400
(2R)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171221518
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171201973
(2-fluoro-4-methylphenyl)-(3-fluorophenyl)methanol
CID 114978479
5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol
CID 115828331
cyclohexyl-(2-fluoro-4-methylphenyl)methanol
CID 115802084
2-(2-fluoro-4-methylphenyl)butanedioic acid
CID 165450976

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methylphenyl)methanediol?
The IUPAC name of (2-fluoro-4-methylphenyl)methanediol (CID 129136979) is (2-fluoro-4-methylphenyl)methanediol.
What is the SMILES notation for (2-fluoro-4-methylphenyl)methanediol?
The canonical SMILES for (2-fluoro-4-methylphenyl)methanediol is Cc1ccc(C(O)O)c(F)c1.
What is the InChIKey of (2-fluoro-4-methylphenyl)methanediol?
The InChIKey is LDZSUZDDBXQQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,8,10-11H,1H3.
What are the key properties of (2-fluoro-4-methylphenyl)methanediol?
(2-fluoro-4-methylphenyl)methanediol has a molecular weight of 156.16 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methylphenyl)methanediol is sourced from PubChem (CID 129136979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).