(3,5-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanol

C15H13F3O3 — CID 103303239

IUPAC(3,5-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanol
SMILESCOc1cc(OC)cc(C(O)c2cc(F)c(F)cc2F)c1
InChIInChI=1S/C15H13F3O3/c1-20-9-3-8(4-10(5-9)21-2)15(19)11-6-13(17)14(18)7-12(11)16/h3-7,15,19H,1-2H3
InChIKeyYMKKVYZHCZMVHD-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.20
Rot. Bonds4

About (3,5-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanol

(3,5-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanol (PubChem CID 103303239) has the molecular formula C15H13F3O3 and a molecular weight of 298.26 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanol.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanol
PubChem CID103303239
Molecular FormulaC15H13F3O3
Molecular Weight298.26 g/mol
Exact Mass298.08
IUPAC Name(3,5-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanol
SMILESCOc1cc(OC)cc(C(O)c2cc(F)c(F)cc2F)c1
InChIInChI=1S/C15H13F3O3/c1-20-9-3-8(4-10(5-9)21-2)15(19)11-6-13(17)14(18)7-12(11)16/h3-7,15,19H,1-2H3
InChIKeyYMKKVYZHCZMVHD-UHFFFAOYSA-N
XLogP3.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2,5-difluorophenyl)-(3,5-dimethoxyphenyl)methanol
CID 61100108
1-[bromo-(3,5-dimethoxyphenyl)methyl]-2,4,5-trifluorobenzene
CID 103304368
(4-chloro-2,5-difluorophenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828955
(3,5-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 61083265
(4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 115821652
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
1-[bromo-(3,5-dimethoxyphenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477661
(5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303352
(5-bromo-2-methylphenyl)-(3,5-dimethoxyphenyl)methanol
CID 115821609
(4-ethylphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303353
(2-amino-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 107469497
(3,5-dimethoxyphenyl)-(3-methoxy-4-pyridinyl)methanol
CID 105066374

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanol?
The IUPAC name of (3,5-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanol (CID 103303239) is (3,5-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanol.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanol?
The canonical SMILES for (3,5-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanol is COc1cc(OC)cc(C(O)c2cc(F)c(F)cc2F)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanol?
The InChIKey is YMKKVYZHCZMVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O3/c1-20-9-3-8(4-10(5-9)21-2)15(19)11-6-13(17)14(18)7-12(11)16/h3-7,15,19H,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanol?
(3,5-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanol has a molecular weight of 298.26 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanol is sourced from PubChem (CID 103303239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).