(3-chloro-6-fluoro-2-methylphenyl)methanol

C8H8ClFO — CID 84766744

IUPAC(3-chloro-6-fluoro-2-methylphenyl)methanol
SMILESCc1c(Cl)ccc(F)c1CO
InChIInChI=1S/C8H8ClFO/c1-5-6(4-11)8(10)3-2-7(5)9/h2-3,11H,4H2,1H3
InChIKeyYMVLXGZVUOQKIN-UHFFFAOYSA-N
MW174.60 g/mol
LogP2.28
Rot. Bonds1

About (3-chloro-6-fluoro-2-methylphenyl)methanol

(3-chloro-6-fluoro-2-methylphenyl)methanol (PubChem CID 84766744) has the molecular formula C8H8ClFO and a molecular weight of 174.60 g/mol. Its IUPAC name is (3-chloro-6-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-6-fluoro-2-methylphenyl)methanol
PubChem CID84766744
Molecular FormulaC8H8ClFO
Molecular Weight174.60 g/mol
Exact Mass174.02
IUPAC Name(3-chloro-6-fluoro-2-methylphenyl)methanol
SMILESCc1c(Cl)ccc(F)c1CO
InChIInChI=1S/C8H8ClFO/c1-5-6(4-11)8(10)3-2-7(5)9/h2-3,11H,4H2,1H3
InChIKeyYMVLXGZVUOQKIN-UHFFFAOYSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.60
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-fluoro-2-methylphenyl)methanol?
The IUPAC name of (3-chloro-6-fluoro-2-methylphenyl)methanol (CID 84766744) is (3-chloro-6-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for (3-chloro-6-fluoro-2-methylphenyl)methanol?
The canonical SMILES for (3-chloro-6-fluoro-2-methylphenyl)methanol is Cc1c(Cl)ccc(F)c1CO.
What is the InChIKey of (3-chloro-6-fluoro-2-methylphenyl)methanol?
The InChIKey is YMVLXGZVUOQKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO/c1-5-6(4-11)8(10)3-2-7(5)9/h2-3,11H,4H2,1H3.
What are the key properties of (3-chloro-6-fluoro-2-methylphenyl)methanol?
(3-chloro-6-fluoro-2-methylphenyl)methanol has a molecular weight of 174.60 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 84766744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).