(2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol

C14H10ClF3O2 — CID 104817019

IUPAC(2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol
SMILESCOc1cccc(Cl)c1C(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H10ClF3O2/c1-20-10-4-2-3-8(15)11(10)14(19)7-5-6-9(16)13(18)12(7)17/h2-6,14,19H,1H3
InChIKeyJEJPEYKQWCVODG-UHFFFAOYSA-N
MW302.68 g/mol
LogP3.85
Rot. Bonds3

About (2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol

(2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol (PubChem CID 104817019) has the molecular formula C14H10ClF3O2 and a molecular weight of 302.68 g/mol. Its IUPAC name is (2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol.

Molecular Properties

Compound Name(2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol
PubChem CID104817019
Molecular FormulaC14H10ClF3O2
Molecular Weight302.68 g/mol
Exact Mass302.03
IUPAC Name(2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol
SMILESCOc1cccc(Cl)c1C(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H10ClF3O2/c1-20-10-4-2-3-8(15)11(10)14(19)7-5-6-9(16)13(18)12(7)17/h2-6,14,19H,1H3
InChIKeyJEJPEYKQWCVODG-UHFFFAOYSA-N
XLogP3.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 63895257
(2-chloro-6-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 104817555
(2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 107469586
(2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838575
(2-chloro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 104817103
(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 115838581
(2-chloro-6-methoxyphenyl)-(2-methylthiophen-3-yl)methanol
CID 102829422
(2,4-difluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 61087351
(2-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807676
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115832717
1-benzothiophen-7-yl-(2-chloro-6-methoxyphenyl)methanol
CID 104817073
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116810239

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol?
The IUPAC name of (2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol (CID 104817019) is (2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol.
What is the SMILES notation for (2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol?
The canonical SMILES for (2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol is COc1cccc(Cl)c1C(O)c1ccc(F)c(F)c1F.
What is the InChIKey of (2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol?
The InChIKey is JEJPEYKQWCVODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O2/c1-20-10-4-2-3-8(15)11(10)14(19)7-5-6-9(16)13(18)12(7)17/h2-6,14,19H,1H3.
What are the key properties of (2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol?
(2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol has a molecular weight of 302.68 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol is sourced from PubChem (CID 104817019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).