(5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol

C15H13ClF2O2 — CID 115525000

IUPAC(5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol
SMILESCOc1ccc(Cl)cc1C(O)c1ccc(C(F)F)cc1
InChIInChI=1S/C15H13ClF2O2/c1-20-13-7-6-11(16)8-12(13)14(19)9-2-4-10(5-3-9)15(17)18/h2-8,14-15,19H,1H3
InChIKeyCCKXRDRUKWEXJR-UHFFFAOYSA-N
MW298.72 g/mol
LogP4.37
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol

(5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol (PubChem CID 115525000) has the molecular formula C15H13ClF2O2 and a molecular weight of 298.72 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol
PubChem CID115525000
Molecular FormulaC15H13ClF2O2
Molecular Weight298.72 g/mol
Exact Mass298.06
IUPAC Name(5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol
SMILESCOc1ccc(Cl)cc1C(O)c1ccc(C(F)F)cc1
InChIInChI=1S/C15H13ClF2O2/c1-20-13-7-6-11(16)8-12(13)14(19)9-2-4-10(5-3-9)15(17)18/h2-8,14-15,19H,1H3
InChIKeyCCKXRDRUKWEXJR-UHFFFAOYSA-N
XLogP4.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-aminophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 106695594
(5-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63896012
(4-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 63895530
(5-chloro-2-methoxyphenyl)-(furan-3-yl)methanol
CID 63894957
(5-chloro-2-methoxyphenyl)-[3-(difluoromethoxy)phenyl]methanol
CID 104546174
[4-(difluoromethyl)phenyl]-(2-methoxyphenyl)methanol
CID 115525064
(5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303352
(5-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61081454
(5-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087442
(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 61101584
(5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879586
(2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61083249

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol (CID 115525000) is (5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol is COc1ccc(Cl)cc1C(O)c1ccc(C(F)F)cc1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol?
The InChIKey is CCKXRDRUKWEXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O2/c1-20-13-7-6-11(16)8-12(13)14(19)9-2-4-10(5-3-9)15(17)18/h2-8,14-15,19H,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol?
(5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol has a molecular weight of 298.72 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol is sourced from PubChem (CID 115525000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).