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

C15H13ClF2O — CID 115484592

IUPAC(2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol
SMILESCc1cc(Cl)c(C(O)c2cccc(F)c2F)cc1C
InChIInChI=1S/C15H13ClF2O/c1-8-6-11(12(16)7-9(8)2)15(19)10-4-3-5-13(17)14(10)18/h3-7,15,19H,1-2H3
InChIKeyIGVUSTWDPYCXDH-UHFFFAOYSA-N
MW282.72 g/mol
LogP4.32
Rot. Bonds2

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

(2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol (PubChem CID 115484592) has the molecular formula C15H13ClF2O and a molecular weight of 282.72 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol
PubChem CID115484592
Molecular FormulaC15H13ClF2O
Molecular Weight282.72 g/mol
Exact Mass282.06
IUPAC Name(2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol
SMILESCc1cc(Cl)c(C(O)c2cccc(F)c2F)cc1C
InChIInChI=1S/C15H13ClF2O/c1-8-6-11(12(16)7-9(8)2)15(19)10-4-3-5-13(17)14(10)18/h3-7,15,19H,1-2H3
InChIKeyIGVUSTWDPYCXDH-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-2-methylphenyl)-(2,3-difluorophenyl)methanol
CID 115800933
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
CID 81045704
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 81050964
(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 115807096
(2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol
CID 115484546
(2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 115484480
(2,3-difluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 63894755
(2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol
CID 81473865
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine
CID 81044973
(4-chloro-3-fluorophenyl)-(2,3-difluorophenyl)methanol
CID 63988180
(2-chloro-3-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107516247
(2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 115484419

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol?
The IUPAC name of (2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol (CID 115484592) is (2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol is Cc1cc(Cl)c(C(O)c2cccc(F)c2F)cc1C.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol?
The InChIKey is IGVUSTWDPYCXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O/c1-8-6-11(12(16)7-9(8)2)15(19)10-4-3-5-13(17)14(10)18/h3-7,15,19H,1-2H3.
What are the key properties of (2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol?
(2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol has a molecular weight of 282.72 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol is sourced from PubChem (CID 115484592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).