(2-chloro-5-fluorophenyl)methanediol

C7H6ClFO2 — CID 71441110

IUPAC(2-chloro-5-fluorophenyl)methanediol
SMILESOC(O)c1cc(F)ccc1Cl
InChIInChI=1S/C7H6ClFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,7,10-11H
InChIKeyYJOWFUUHSODDRB-UHFFFAOYSA-N
MW176.57 g/mol
LogP1.46
Rot. Bonds1

About (2-chloro-5-fluorophenyl)methanediol

(2-chloro-5-fluorophenyl)methanediol (PubChem CID 71441110) has the molecular formula C7H6ClFO2 and a molecular weight of 176.57 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)methanediol.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)methanediol
PubChem CID71441110
Molecular FormulaC7H6ClFO2
Molecular Weight176.57 g/mol
Exact Mass176.00
IUPAC Name(2-chloro-5-fluorophenyl)methanediol
SMILESOC(O)c1cc(F)ccc1Cl
InChIInChI=1S/C7H6ClFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,7,10-11H
InChIKeyYJOWFUUHSODDRB-UHFFFAOYSA-N
XLogP1.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.57
LogP ≤ 51.46
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

2-amino-1-(2-chloro-5-fluorophenyl)ethanol
CID 82404297
1-(2-chloro-5-fluorophenyl)propan-1-ol
CID 105393866
1-(2-chloro-5-fluorophenyl)propane-1,2,3-triol
CID 170817435
(2-chloro-5-fluorophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 105394068
3-bromo-1-(2-chloro-5-fluorophenyl)propane-1,2-diol
CID 171859545
(2,4-difluorophenyl)methanediol
CID 91089962
(2-chloro-5-fluorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 105394565
3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol
CID 83690027
1-(2-chloro-5-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448569
1-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol
CID 105393869
1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 105397725
1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol
CID 105394437

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)methanediol?
The IUPAC name of (2-chloro-5-fluorophenyl)methanediol (CID 71441110) is (2-chloro-5-fluorophenyl)methanediol.
What is the SMILES notation for (2-chloro-5-fluorophenyl)methanediol?
The canonical SMILES for (2-chloro-5-fluorophenyl)methanediol is OC(O)c1cc(F)ccc1Cl.
What is the InChIKey of (2-chloro-5-fluorophenyl)methanediol?
The InChIKey is YJOWFUUHSODDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,7,10-11H.
What are the key properties of (2-chloro-5-fluorophenyl)methanediol?
(2-chloro-5-fluorophenyl)methanediol has a molecular weight of 176.57 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)methanediol is sourced from PubChem (CID 71441110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).