(5-chloro-2-methoxyphenyl)-[3-(difluoromethoxy)phenyl]methanol

C15H13ClF2O3 — CID 104546174

IUPAC(5-chloro-2-methoxyphenyl)-[3-(difluoromethoxy)phenyl]methanol
SMILESCOc1ccc(Cl)cc1C(O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H13ClF2O3/c1-20-13-6-5-10(16)8-12(13)14(19)9-3-2-4-11(7-9)21-15(17)18/h2-8,14-15,19H,1H3
InChIKeyWDEDNPKFGDVBPG-UHFFFAOYSA-N
MW314.72 g/mol
LogP4.03
Rot. Bonds5

About (5-chloro-2-methoxyphenyl)-[3-(difluoromethoxy)phenyl]methanol

(5-chloro-2-methoxyphenyl)-[3-(difluoromethoxy)phenyl]methanol (PubChem CID 104546174) has the molecular formula C15H13ClF2O3 and a molecular weight of 314.72 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[3-(difluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[3-(difluoromethoxy)phenyl]methanol
PubChem CID104546174
Molecular FormulaC15H13ClF2O3
Molecular Weight314.72 g/mol
Exact Mass314.05
IUPAC Name(5-chloro-2-methoxyphenyl)-[3-(difluoromethoxy)phenyl]methanol
SMILESCOc1ccc(Cl)cc1C(O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H13ClF2O3/c1-20-13-6-5-10(16)8-12(13)14(19)9-3-2-4-11(7-9)21-15(17)18/h2-8,14-15,19H,1H3
InChIKeyWDEDNPKFGDVBPG-UHFFFAOYSA-N
XLogP4.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.72
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bromo-[3-(difluoromethoxy)phenyl]methyl]-4-chloro-1-methoxybenzene
CID 104546489
(5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol
CID 115525000
(2,3-dichlorophenyl)-[3-(difluoromethoxy)phenyl]methanol
CID 115792966
[3-(difluoromethoxy)phenyl]-(2-fluorophenyl)methanol
CID 115781698
(5-chloro-2-methoxyphenyl)-(3-propylphenyl)methanol
CID 115838131
(4-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 63895530
(5-chloro-2-methoxyphenyl)-(3-cyclobutylphenyl)methanol
CID 115839083
(4-aminophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 106695594
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146658
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
(2-chloro-3-fluorophenyl)-(3-methoxyphenyl)methanol
CID 114976824
1,4-dichloro-2-[chloro-[3-(difluoromethoxy)phenyl]methyl]benzene
CID 63436864

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[3-(difluoromethoxy)phenyl]methanol?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[3-(difluoromethoxy)phenyl]methanol (CID 104546174) is (5-chloro-2-methoxyphenyl)-[3-(difluoromethoxy)phenyl]methanol.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[3-(difluoromethoxy)phenyl]methanol?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[3-(difluoromethoxy)phenyl]methanol is COc1ccc(Cl)cc1C(O)c1cccc(OC(F)F)c1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[3-(difluoromethoxy)phenyl]methanol?
The InChIKey is WDEDNPKFGDVBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O3/c1-20-13-6-5-10(16)8-12(13)14(19)9-3-2-4-11(7-9)21-15(17)18/h2-8,14-15,19H,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-[3-(difluoromethoxy)phenyl]methanol?
(5-chloro-2-methoxyphenyl)-[3-(difluoromethoxy)phenyl]methanol has a molecular weight of 314.72 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[3-(difluoromethoxy)phenyl]methanol is sourced from PubChem (CID 104546174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).