(5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol

C14H10ClF3O2 — CID 103303352

IUPAC(5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
SMILESCOc1ccc(Cl)cc1C(O)c1cc(F)c(F)cc1F
InChIInChI=1S/C14H10ClF3O2/c1-20-13-3-2-7(15)4-9(13)14(19)8-5-11(17)12(18)6-10(8)16/h2-6,14,19H,1H3
InChIKeyCOHSQIKKYNJEQK-UHFFFAOYSA-N
MW302.68 g/mol
LogP3.85
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol

(5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol (PubChem CID 103303352) has the molecular formula C14H10ClF3O2 and a molecular weight of 302.68 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
PubChem CID103303352
Molecular FormulaC14H10ClF3O2
Molecular Weight302.68 g/mol
Exact Mass302.03
IUPAC Name(5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
SMILESCOc1ccc(Cl)cc1C(O)c1cc(F)c(F)cc1F
InChIInChI=1S/C14H10ClF3O2/c1-20-13-3-2-7(15)4-9(13)14(19)8-5-11(17)12(18)6-10(8)16/h2-6,14,19H,1H3
InChIKeyCOHSQIKKYNJEQK-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_1', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087442
(5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol
CID 115525000
(4-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 63895530
(5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879586
(2-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 62509628
(5-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61080574
(4-aminophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 106695594
(5-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61081454
(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 104546182
(5-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63896012
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methanol
CID 79722706
(4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303339

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol (CID 103303352) is (5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol is COc1ccc(Cl)cc1C(O)c1cc(F)c(F)cc1F.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol?
The InChIKey is COHSQIKKYNJEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O2/c1-20-13-3-2-7(15)4-9(13)14(19)8-5-11(17)12(18)6-10(8)16/h2-6,14,19H,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol?
(5-chloro-2-methoxyphenyl)-(2,4,5-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 (5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol is sourced from PubChem (CID 103303352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).