(3-chloro-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methanol

C15H13ClF2O3 — CID 62800710

IUPAC(3-chloro-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methanol
SMILESCOc1cc(C(O)c2ccc(F)cc2F)cc(Cl)c1OC
InChIInChI=1S/C15H13ClF2O3/c1-20-13-6-8(5-11(16)15(13)21-2)14(19)10-4-3-9(17)7-12(10)18/h3-7,14,19H,1-2H3
InChIKeyYLGKGJFZJMCQBE-UHFFFAOYSA-N
MW314.72 g/mol
LogP3.72
Rot. Bonds4

About (3-chloro-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methanol

(3-chloro-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methanol (PubChem CID 62800710) has the molecular formula C15H13ClF2O3 and a molecular weight of 314.72 g/mol. Its IUPAC name is (3-chloro-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methanol
PubChem CID62800710
Molecular FormulaC15H13ClF2O3
Molecular Weight314.72 g/mol
Exact Mass314.05
IUPAC Name(3-chloro-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methanol
SMILESCOc1cc(C(O)c2ccc(F)cc2F)cc(Cl)c1OC
InChIInChI=1S/C15H13ClF2O3/c1-20-13-6-8(5-11(16)15(13)21-2)14(19)10-4-3-9(17)7-12(10)18/h3-7,14,19H,1-2H3
InChIKeyYLGKGJFZJMCQBE-UHFFFAOYSA-N
XLogP3.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.72
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-difluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 61087351
(2-chloro-4-fluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
CID 61099671
(2-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61081471
(3-chloro-4,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol
CID 60955788
(3-chloro-4,5-dimethoxyphenyl)-(furan-2-yl)methanol
CID 63947956
(3-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanol
CID 63094000
(2,3,4-trimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanol
CID 10570762
(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
CID 82772510
1-[chloro-(2,4-difluorophenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 62866237
(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol
CID 61100698
(4-chloro-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823109
(3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 63194903

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methanol?
The IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methanol (CID 62800710) is (3-chloro-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methanol.
What is the SMILES notation for (3-chloro-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methanol?
The canonical SMILES for (3-chloro-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methanol is COc1cc(C(O)c2ccc(F)cc2F)cc(Cl)c1OC.
What is the InChIKey of (3-chloro-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methanol?
The InChIKey is YLGKGJFZJMCQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O3/c1-20-13-6-8(5-11(16)15(13)21-2)14(19)10-4-3-9(17)7-12(10)18/h3-7,14,19H,1-2H3.
What are the key properties of (3-chloro-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methanol?
(3-chloro-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methanol has a molecular weight of 314.72 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methanol is sourced from PubChem (CID 62800710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).