(4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol

C15H13ClF2O3 — CID 79699607

IUPAC(4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol
SMILESCOc1cc(C(O)c2ccc(OC(F)F)cc2)ccc1Cl
InChIInChI=1S/C15H13ClF2O3/c1-20-13-8-10(4-7-12(13)16)14(19)9-2-5-11(6-3-9)21-15(17)18/h2-8,14-15,19H,1H3
InChIKeyMQDZUXQRHQMKHZ-UHFFFAOYSA-N
MW314.72 g/mol
LogP4.03
Rot. Bonds5

About (4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol

(4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol (PubChem CID 79699607) has the molecular formula C15H13ClF2O3 and a molecular weight of 314.72 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol
PubChem CID79699607
Molecular FormulaC15H13ClF2O3
Molecular Weight314.72 g/mol
Exact Mass314.05
IUPAC Name(4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol
SMILESCOc1cc(C(O)c2ccc(OC(F)F)cc2)ccc1Cl
InChIInChI=1S/C15H13ClF2O3/c1-20-13-8-10(4-7-12(13)16)14(19)9-2-5-11(6-3-9)21-15(17)18/h2-8,14-15,19H,1H3
InChIKeyMQDZUXQRHQMKHZ-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

(4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 79697124
(4-chloro-3-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 115818074
1-chloro-4-(difluoromethyl)-2-methoxybenzene
CID 84664383
(4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 81437123
(3-bromo-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 107947631
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 79697409
(3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284055
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 115818011
(R)-[3,4-bis(difluoromethoxy)phenyl]-(3,5-dimethoxyphenyl)methanol
CID 129391775
(3,4-dichlorophenyl)-(3-methoxy-4-methylphenyl)methanol
CID 61081399
[4-(difluoromethoxy)phenyl]-(4-methoxy-2-methylphenyl)methanol
CID 61101461
(4-fluoro-3-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 81285020

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol?
The IUPAC name of (4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol (CID 79699607) is (4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol is COc1cc(C(O)c2ccc(OC(F)F)cc2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol?
The InChIKey is MQDZUXQRHQMKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O3/c1-20-13-8-10(4-7-12(13)16)14(19)9-2-5-11(6-3-9)21-15(17)18/h2-8,14-15,19H,1H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol?
(4-chloro-3-methoxyphenyl)-[4-(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 (4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol is sourced from PubChem (CID 79699607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).