(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol

C15H12ClF3O2 — CID 115793883

IUPAC(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
SMILESCOc1cc(Cl)ccc1C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12ClF3O2/c1-21-13-8-11(16)6-7-12(13)14(20)9-2-4-10(5-3-9)15(17,18)19/h2-8,14,20H,1H3
InChIKeyBIVHNQVDQITBON-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.45
Rot. Bonds3

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

(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 115793883) has the molecular formula C15H12ClF3O2 and a molecular weight of 316.71 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
PubChem CID115793883
Molecular FormulaC15H12ClF3O2
Molecular Weight316.71 g/mol
Exact Mass316.05
IUPAC Name(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
SMILESCOc1cc(Cl)ccc1C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12ClF3O2/c1-21-13-8-11(16)6-7-12(13)14(20)9-2-4-10(5-3-9)15(17,18)19/h2-8,14,20H,1H3
InChIKeyBIVHNQVDQITBON-UHFFFAOYSA-N
XLogP4.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63896012
(4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 115821652
(4-chloro-2-methoxyphenyl)-(3-chloro-4-methylphenyl)methanol
CID 107560197
(4-chloro-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823109
[2,4-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
CID 54576991
(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 61101584
(5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol
CID 115525000
(2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 107469372
(4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115829313
(2,4-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61083249
(4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 63426444
(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61101565

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol (CID 115793883) is (4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol is COc1cc(Cl)ccc1C(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is BIVHNQVDQITBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3O2/c1-21-13-8-11(16)6-7-12(13)14(20)9-2-4-10(5-3-9)15(17,18)19/h2-8,14,20H,1H3.
What are the key properties of (4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol?
(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 316.71 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 115793883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).