[2-methyl-6-(trifluoromethyl)-3H-inden-1-yl]-phenylmethanol

C18H15F3O — CID 135015064

IUPAC[2-methyl-6-(trifluoromethyl)-3H-inden-1-yl]-phenylmethanol
SMILESCC1=C(C(O)c2ccccc2)c2cc(C(F)(F)F)ccc2C1
InChIInChI=1S/C18H15F3O/c1-11-9-13-7-8-14(18(19,20)21)10-15(13)16(11)17(22)12-5-3-2-4-6-12/h2-8,10,17,22H,9H2,1H3
InChIKeyJFEXLIIJROTBQI-UHFFFAOYSA-N
MW304.31 g/mol
LogP4.77
Rot. Bonds2

About [2-methyl-6-(trifluoromethyl)-3H-inden-1-yl]-phenylmethanol

[2-methyl-6-(trifluoromethyl)-3H-inden-1-yl]-phenylmethanol (PubChem CID 135015064) has the molecular formula C18H15F3O and a molecular weight of 304.31 g/mol. Its IUPAC name is [2-methyl-6-(trifluoromethyl)-3H-inden-1-yl]-phenylmethanol.

Molecular Properties

Compound Name[2-methyl-6-(trifluoromethyl)-3H-inden-1-yl]-phenylmethanol
PubChem CID135015064
Molecular FormulaC18H15F3O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC Name[2-methyl-6-(trifluoromethyl)-3H-inden-1-yl]-phenylmethanol
SMILESCC1=C(C(O)c2ccccc2)c2cc(C(F)(F)F)ccc2C1
InChIInChI=1S/C18H15F3O/c1-11-9-13-7-8-14(18(19,20)21)10-15(13)16(11)17(22)12-5-3-2-4-6-12/h2-8,10,17,22H,9H2,1H3
InChIKeyJFEXLIIJROTBQI-UHFFFAOYSA-N
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 596875
2-Naphthalenemethanol
CID 74128
3,4-Dimethylbenzyl alcohol
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Bay 27-9955
CID 5311277
alpha-Ethyl-alpha-phenyl-3-(trifluoromethyl)benzenemethanol
CID 41870
(1,1'-Biphenyl)-4-methanol
CID 19186
2,4-Dimethylbenzyl alcohol
CID 27809
4-Methylbenzhydrol
CID 95377
1-(1-Pyrenyl)ethanol
CID 119118
3-(5'-{2-[3,4-Bis(Hydroxymethyl)phenyl]ethyl}-2'-Methyl-2-Propylbiphenyl-4-Yl)pentan-3-Ol
CID 9847095
2,4,6-Trimethylbenzyl alcohol
CID 20139
2-Benzylbenzyl alcohol
CID 74109

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(trifluoromethyl)-3H-inden-1-yl]-phenylmethanol?
The IUPAC name of [2-methyl-6-(trifluoromethyl)-3H-inden-1-yl]-phenylmethanol (CID 135015064) is [2-methyl-6-(trifluoromethyl)-3H-inden-1-yl]-phenylmethanol.
What is the SMILES notation for [2-methyl-6-(trifluoromethyl)-3H-inden-1-yl]-phenylmethanol?
The canonical SMILES for [2-methyl-6-(trifluoromethyl)-3H-inden-1-yl]-phenylmethanol is CC1=C(C(O)c2ccccc2)c2cc(C(F)(F)F)ccc2C1.
What is the InChIKey of [2-methyl-6-(trifluoromethyl)-3H-inden-1-yl]-phenylmethanol?
The InChIKey is JFEXLIIJROTBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3O/c1-11-9-13-7-8-14(18(19,20)21)10-15(13)16(11)17(22)12-5-3-2-4-6-12/h2-8,10,17,22H,9H2,1H3.
What are the key properties of [2-methyl-6-(trifluoromethyl)-3H-inden-1-yl]-phenylmethanol?
[2-methyl-6-(trifluoromethyl)-3H-inden-1-yl]-phenylmethanol has a molecular weight of 304.31 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(trifluoromethyl)-3H-inden-1-yl]-phenylmethanol is sourced from PubChem (CID 135015064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).