[6-[2-(trifluoromethyl)phenyl]naphthalen-2-yl]methanol

C18H13F3O — CID 172868767

IUPAC[6-[2-(trifluoromethyl)phenyl]naphthalen-2-yl]methanol
SMILESOCc1ccc2cc(-c3ccccc3C(F)(F)F)ccc2c1
InChIInChI=1S/C18H13F3O/c19-18(20,21)17-4-2-1-3-16(17)15-8-7-13-9-12(11-22)5-6-14(13)10-15/h1-10,22H,11H2
InChIKeyICDULLVLEHPAME-UHFFFAOYSA-N
MW302.30 g/mol
LogP5.02
Rot. Bonds2

About [6-[2-(trifluoromethyl)phenyl]naphthalen-2-yl]methanol

[6-[2-(trifluoromethyl)phenyl]naphthalen-2-yl]methanol (PubChem CID 172868767) has the molecular formula C18H13F3O and a molecular weight of 302.30 g/mol. Its IUPAC name is [6-[2-(trifluoromethyl)phenyl]naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[6-[2-(trifluoromethyl)phenyl]naphthalen-2-yl]methanol
PubChem CID172868767
Molecular FormulaC18H13F3O
Molecular Weight302.30 g/mol
Exact Mass302.09
IUPAC Name[6-[2-(trifluoromethyl)phenyl]naphthalen-2-yl]methanol
SMILESOCc1ccc2cc(-c3ccccc3C(F)(F)F)ccc2c1
InChIInChI=1S/C18H13F3O/c19-18(20,21)17-4-2-1-3-16(17)15-8-7-13-9-12(11-22)5-6-14(13)10-15/h1-10,22H,11H2
InChIKeyICDULLVLEHPAME-UHFFFAOYSA-N
XLogP5.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.30
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Naphthalenemethanol
CID 20908
9-Anthracenemethanol
CID 73848
1-Pyrenemethanol
CID 104977
Benzo(a)pyrene-7,8-dihydrodiol
CID 25892
12-Methylbenz(a)anthracene-7-methanol
CID 11285
2-Naphthalenemethanol
CID 74128
Bay 27-9955
CID 5311277
Benzo(a)pyrene-6-methanol
CID 30544
7-Hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
CID 97714
1-(1-Pyrenyl)ethanol
CID 119118
2-Pyrenemethanol
CID 146932
3-(5'-{2-[3,4-Bis(Hydroxymethyl)phenyl]ethyl}-2'-Methyl-2-Propylbiphenyl-4-Yl)pentan-3-Ol
CID 9847095

Frequently Asked Questions

What is the IUPAC name of [6-[2-(trifluoromethyl)phenyl]naphthalen-2-yl]methanol?
The IUPAC name of [6-[2-(trifluoromethyl)phenyl]naphthalen-2-yl]methanol (CID 172868767) is [6-[2-(trifluoromethyl)phenyl]naphthalen-2-yl]methanol.
What is the SMILES notation for [6-[2-(trifluoromethyl)phenyl]naphthalen-2-yl]methanol?
The canonical SMILES for [6-[2-(trifluoromethyl)phenyl]naphthalen-2-yl]methanol is OCc1ccc2cc(-c3ccccc3C(F)(F)F)ccc2c1.
What is the InChIKey of [6-[2-(trifluoromethyl)phenyl]naphthalen-2-yl]methanol?
The InChIKey is ICDULLVLEHPAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3O/c19-18(20,21)17-4-2-1-3-16(17)15-8-7-13-9-12(11-22)5-6-14(13)10-15/h1-10,22H,11H2.
What are the key properties of [6-[2-(trifluoromethyl)phenyl]naphthalen-2-yl]methanol?
[6-[2-(trifluoromethyl)phenyl]naphthalen-2-yl]methanol has a molecular weight of 302.30 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(trifluoromethyl)phenyl]naphthalen-2-yl]methanol is sourced from PubChem (CID 172868767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).