(4,5-dichloro-2-fluoro-3-methylphenyl)methanol

C8H7Cl2FO — CID 163198260

IUPAC(4,5-dichloro-2-fluoro-3-methylphenyl)methanol
SMILESCc1c(F)c(CO)cc(Cl)c1Cl
InChIInChI=1S/C8H7Cl2FO/c1-4-7(10)6(9)2-5(3-12)8(4)11/h2,12H,3H2,1H3
InChIKeyPTKKWVRTKGOFHJ-UHFFFAOYSA-N
MW209.05 g/mol
LogP2.93
Rot. Bonds1

About (4,5-dichloro-2-fluoro-3-methylphenyl)methanol

(4,5-dichloro-2-fluoro-3-methylphenyl)methanol (PubChem CID 163198260) has the molecular formula C8H7Cl2FO and a molecular weight of 209.05 g/mol. Its IUPAC name is (4,5-dichloro-2-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(4,5-dichloro-2-fluoro-3-methylphenyl)methanol
PubChem CID163198260
Molecular FormulaC8H7Cl2FO
Molecular Weight209.05 g/mol
Exact Mass207.99
IUPAC Name(4,5-dichloro-2-fluoro-3-methylphenyl)methanol
SMILESCc1c(F)c(CO)cc(Cl)c1Cl
InChIInChI=1S/C8H7Cl2FO/c1-4-7(10)6(9)2-5(3-12)8(4)11/h2,12H,3H2,1H3
InChIKeyPTKKWVRTKGOFHJ-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.05
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]methanol
CID 117318845
4,5-dichloro-2-fluoro-3-methylbenzoic acid
CID 155293772
(3-bromo-5-chloro-2,4-dimethylphenyl)methanol
CID 84803776
(5-bromo-3-chloro-2,4-difluorophenyl)methanol
CID 102171552
(5-chloro-3,4-dimethoxy-2-methylphenyl)methanol
CID 84682296
2-fluoro-3-(hydroxymethyl)-5-methylphenol
CID 117276057
(5-chloro-4-iodo-2-methylphenyl)methanol
CID 171004062
2-chloro-5-(hydroxymethyl)-3,6-dimethylphenol
CID 84770210
(3-bromo-2-(19F)fluoro-5-methylphenyl)methanol
CID 101070863
(5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine
CID 84770610
(4-bromo-2-chloro-3-fluorophenyl)methanol
CID 117351692
(2,4-dichloro-5-fluorophenyl)methanol
CID 2774017

Frequently Asked Questions

What is the IUPAC name of (4,5-dichloro-2-fluoro-3-methylphenyl)methanol?
The IUPAC name of (4,5-dichloro-2-fluoro-3-methylphenyl)methanol (CID 163198260) is (4,5-dichloro-2-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for (4,5-dichloro-2-fluoro-3-methylphenyl)methanol?
The canonical SMILES for (4,5-dichloro-2-fluoro-3-methylphenyl)methanol is Cc1c(F)c(CO)cc(Cl)c1Cl.
What is the InChIKey of (4,5-dichloro-2-fluoro-3-methylphenyl)methanol?
The InChIKey is PTKKWVRTKGOFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FO/c1-4-7(10)6(9)2-5(3-12)8(4)11/h2,12H,3H2,1H3.
What are the key properties of (4,5-dichloro-2-fluoro-3-methylphenyl)methanol?
(4,5-dichloro-2-fluoro-3-methylphenyl)methanol has a molecular weight of 209.05 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloro-2-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 163198260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).