(2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol

C15H14ClFO3 — CID 115838575

IUPAC(2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)c1cccc(F)c1Cl
InChIInChI=1S/C15H14ClFO3/c1-19-11-7-4-8-12(20-2)13(11)15(18)9-5-3-6-10(17)14(9)16/h3-8,15,18H,1-2H3
InChIKeyPIGZUGWUWRZBQK-UHFFFAOYSA-N
MW296.73 g/mol
LogP3.58
Rot. Bonds4

About (2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol

(2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol (PubChem CID 115838575) has the molecular formula C15H14ClFO3 and a molecular weight of 296.73 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
PubChem CID115838575
Molecular FormulaC15H14ClFO3
Molecular Weight296.73 g/mol
Exact Mass296.06
IUPAC Name(2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)c1cccc(F)c1Cl
InChIInChI=1S/C15H14ClFO3/c1-19-11-7-4-8-12(20-2)13(11)15(18)9-5-3-6-10(17)14(9)16/h3-8,15,18H,1-2H3
InChIKeyPIGZUGWUWRZBQK-UHFFFAOYSA-N
XLogP3.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 115838581
(2,4-difluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 61087351
(R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 124565399
(2-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879528
(2-chloro-3-fluorophenyl)-(3-methoxyphenyl)methanol
CID 114976824
(2,5-dimethoxyphenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 65433281
(2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838561
(2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 104817019
(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 115807096
1-(2-chloro-3-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788734
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461469
2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115779483

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol?
The IUPAC name of (2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol (CID 115838575) is (2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol is COc1cccc(OC)c1C(O)c1cccc(F)c1Cl.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol?
The InChIKey is PIGZUGWUWRZBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO3/c1-19-11-7-4-8-12(20-2)13(11)15(18)9-5-3-6-10(17)14(9)16/h3-8,15,18H,1-2H3.
What are the key properties of (2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol?
(2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol has a molecular weight of 296.73 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol is sourced from PubChem (CID 115838575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).