(2,4-difluorophenyl)methanediol

C7H6F2O2 — CID 91089962

IUPAC(2,4-difluorophenyl)methanediol
SMILESOC(O)c1ccc(F)cc1F
InChIInChI=1S/C7H6F2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7,10-11H
InChIKeyWZKUSZURVJWICK-UHFFFAOYSA-N
MW160.12 g/mol
LogP0.95
Rot. Bonds1

About (2,4-difluorophenyl)methanediol

(2,4-difluorophenyl)methanediol (PubChem CID 91089962) has the molecular formula C7H6F2O2 and a molecular weight of 160.12 g/mol. Its IUPAC name is (2,4-difluorophenyl)methanediol.

Molecular Properties

Compound Name(2,4-difluorophenyl)methanediol
PubChem CID91089962
Molecular FormulaC7H6F2O2
Molecular Weight160.12 g/mol
Exact Mass160.03
IUPAC Name(2,4-difluorophenyl)methanediol
SMILESOC(O)c1ccc(F)cc1F
InChIInChI=1S/C7H6F2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7,10-11H
InChIKeyWZKUSZURVJWICK-UHFFFAOYSA-N
XLogP0.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 50.95
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

(1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one
CID 101087572
(2-fluoro-4-methylphenyl)methanediol
CID 129136979
(2,4-difluorophenyl)-(dimethylamino)methanol
CID 116909567
1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
(2,4-difluorophenyl)methanediamine
CID 116939170
1-(2,4-difluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103310549
1-(2,4-difluorophenyl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 61086809
(2-chloro-5-fluorophenyl)methanediol
CID 71441110
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol
CID 116830989
sodium (2,4-difluorophenyl)-hydroxymethanesulfonate
CID 103574270
3-(2,4-difluorophenyl)-3-hydroxypropanamide
CID 69415011

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)methanediol?
The IUPAC name of (2,4-difluorophenyl)methanediol (CID 91089962) is (2,4-difluorophenyl)methanediol.
What is the SMILES notation for (2,4-difluorophenyl)methanediol?
The canonical SMILES for (2,4-difluorophenyl)methanediol is OC(O)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)methanediol?
The InChIKey is WZKUSZURVJWICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7,10-11H.
What are the key properties of (2,4-difluorophenyl)methanediol?
(2,4-difluorophenyl)methanediol has a molecular weight of 160.12 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)methanediol is sourced from PubChem (CID 91089962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).