[3-ethyl-6-methyl-2-(trifluoromethyl)chromen-2-yl]-phenylmethanol

C20H19F3O2 — CID 141097868

IUPAC[3-ethyl-6-methyl-2-(trifluoromethyl)chromen-2-yl]-phenylmethanol
SMILESCCC1=Cc2cc(C)ccc2OC1(C(O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C20H19F3O2/c1-3-16-12-15-11-13(2)9-10-17(15)25-19(16,20(21,22)23)18(24)14-7-5-4-6-8-14/h4-12,18,24H,3H2,1-2H3
InChIKeyARMJNSLEMMKKIY-UHFFFAOYSA-N
MW348.36 g/mol
LogP5.22
Rot. Bonds3

About [3-ethyl-6-methyl-2-(trifluoromethyl)chromen-2-yl]-phenylmethanol

[3-ethyl-6-methyl-2-(trifluoromethyl)chromen-2-yl]-phenylmethanol (PubChem CID 141097868) has the molecular formula C20H19F3O2 and a molecular weight of 348.36 g/mol. Its IUPAC name is [3-ethyl-6-methyl-2-(trifluoromethyl)chromen-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[3-ethyl-6-methyl-2-(trifluoromethyl)chromen-2-yl]-phenylmethanol
PubChem CID141097868
Molecular FormulaC20H19F3O2
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name[3-ethyl-6-methyl-2-(trifluoromethyl)chromen-2-yl]-phenylmethanol
SMILESCCC1=Cc2cc(C)ccc2OC1(C(O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C20H19F3O2/c1-3-16-12-15-11-13(2)9-10-17(15)25-19(16,20(21,22)23)18(24)14-7-5-4-6-8-14/h4-12,18,24H,3H2,1-2H3
InChIKeyARMJNSLEMMKKIY-UHFFFAOYSA-N
XLogP5.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.36
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]methanol
CID 12037703
2,2,6-trimethylchromen-3-ol
CID 70365956
(2,4-dimethylphenyl)-phenylmethanol
CID 3807153
(2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 61101273
(6-methyl-2H-chromen-3-yl)methanol
CID 103351449
2-(1,2,2-trifluoroethyl)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 174486877
2-(3-methylphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774329
1-(2,5-dimethylphenyl)-1-phenylbutan-2-ol
CID 79299341
1-(2,5-dimethylphenyl)-1-phenylbutan-2-one
CID 79307352
2,2-difluoro-1-phenylbutan-1-ol
CID 15783630
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287
4-methyl-2-(1-phenylethyl)benzenethiol
CID 24822888

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-6-methyl-2-(trifluoromethyl)chromen-2-yl]-phenylmethanol?
The IUPAC name of [3-ethyl-6-methyl-2-(trifluoromethyl)chromen-2-yl]-phenylmethanol (CID 141097868) is [3-ethyl-6-methyl-2-(trifluoromethyl)chromen-2-yl]-phenylmethanol.
What is the SMILES notation for [3-ethyl-6-methyl-2-(trifluoromethyl)chromen-2-yl]-phenylmethanol?
The canonical SMILES for [3-ethyl-6-methyl-2-(trifluoromethyl)chromen-2-yl]-phenylmethanol is CCC1=Cc2cc(C)ccc2OC1(C(O)c1ccccc1)C(F)(F)F.
What is the InChIKey of [3-ethyl-6-methyl-2-(trifluoromethyl)chromen-2-yl]-phenylmethanol?
The InChIKey is ARMJNSLEMMKKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3O2/c1-3-16-12-15-11-13(2)9-10-17(15)25-19(16,20(21,22)23)18(24)14-7-5-4-6-8-14/h4-12,18,24H,3H2,1-2H3.
What are the key properties of [3-ethyl-6-methyl-2-(trifluoromethyl)chromen-2-yl]-phenylmethanol?
[3-ethyl-6-methyl-2-(trifluoromethyl)chromen-2-yl]-phenylmethanol has a molecular weight of 348.36 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-6-methyl-2-(trifluoromethyl)chromen-2-yl]-phenylmethanol is sourced from PubChem (CID 141097868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).