(3-chloro-2-fluoro-4-methoxyphenyl)methanol

C8H8ClFO2 — CID 84662935

IUPAC(3-chloro-2-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(CO)c(F)c1Cl
InChIInChI=1S/C8H8ClFO2/c1-12-6-3-2-5(4-11)8(10)7(6)9/h2-3,11H,4H2,1H3
InChIKeyWWCZTFCXTXPDQM-UHFFFAOYSA-N
MW190.60 g/mol
LogP1.98
Rot. Bonds2

About (3-chloro-2-fluoro-4-methoxyphenyl)methanol

(3-chloro-2-fluoro-4-methoxyphenyl)methanol (PubChem CID 84662935) has the molecular formula C8H8ClFO2 and a molecular weight of 190.60 g/mol. Its IUPAC name is (3-chloro-2-fluoro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-2-fluoro-4-methoxyphenyl)methanol
PubChem CID84662935
Molecular FormulaC8H8ClFO2
Molecular Weight190.60 g/mol
Exact Mass190.02
IUPAC Name(3-chloro-2-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(CO)c(F)c1Cl
InChIInChI=1S/C8H8ClFO2/c1-12-6-3-2-5(4-11)8(10)7(6)9/h2-3,11H,4H2,1H3
InChIKeyWWCZTFCXTXPDQM-UHFFFAOYSA-N
XLogP1.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.60
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluoro-4-methoxyphenyl)methanol?
The IUPAC name of (3-chloro-2-fluoro-4-methoxyphenyl)methanol (CID 84662935) is (3-chloro-2-fluoro-4-methoxyphenyl)methanol.
What is the SMILES notation for (3-chloro-2-fluoro-4-methoxyphenyl)methanol?
The canonical SMILES for (3-chloro-2-fluoro-4-methoxyphenyl)methanol is COc1ccc(CO)c(F)c1Cl.
What is the InChIKey of (3-chloro-2-fluoro-4-methoxyphenyl)methanol?
The InChIKey is WWCZTFCXTXPDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO2/c1-12-6-3-2-5(4-11)8(10)7(6)9/h2-3,11H,4H2,1H3.
What are the key properties of (3-chloro-2-fluoro-4-methoxyphenyl)methanol?
(3-chloro-2-fluoro-4-methoxyphenyl)methanol has a molecular weight of 190.60 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluoro-4-methoxyphenyl)methanol is sourced from PubChem (CID 84662935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).