4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol

C18H13F3O — CID 102084046

IUPAC4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)c(O)c2ccccc12
InChIInChI=1S/C18H13F3O/c1-11-10-16(17(22)15-5-3-2-4-14(11)15)12-6-8-13(9-7-12)18(19,20)21/h2-10,22H,1H3
InChIKeyDMYHXVJRHWMLDH-UHFFFAOYSA-N
MW302.30 g/mol
LogP5.54
Rot. Bonds1

About 4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol

4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol (PubChem CID 102084046) has the molecular formula C18H13F3O and a molecular weight of 302.30 g/mol. Its IUPAC name is 4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol
PubChem CID102084046
Molecular FormulaC18H13F3O
Molecular Weight302.30 g/mol
Exact Mass302.09
IUPAC Name4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)c(O)c2ccccc12
InChIInChI=1S/C18H13F3O/c1-11-10-16(17(22)15-5-3-2-4-14(11)15)12-6-8-13(9-7-12)18(19,20)21/h2-10,22H,1H3
InChIKeyDMYHXVJRHWMLDH-UHFFFAOYSA-N
XLogP5.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.30
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142
4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
CID 59274673
5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene
CID 59282523
1-iodo-2,4-bis[4-(trifluoromethyl)phenyl]naphthalene
CID 86233116
2-methyl-1-phenyl-4-(trifluoromethyl)benzene;sulfanol
CID 174961722
1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene
CID 139967906
3-chloro-6-(4-methylphenyl)-12-[4-(trifluoromethyl)phenyl]chrysene
CID 58501237
[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 22280004
[4-[2-methyl-4-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanol
CID 123616752
5-chloro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]benzamide
CID 23073720
2,7-dihydroxy-3,6-bis[4-(trifluoromethyl)phenyl]fluoren-9-one
CID 145313593
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol?
The IUPAC name of 4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol (CID 102084046) is 4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol.
What is the SMILES notation for 4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol?
The canonical SMILES for 4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol is Cc1cc(-c2ccc(C(F)(F)F)cc2)c(O)c2ccccc12.
What is the InChIKey of 4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol?
The InChIKey is DMYHXVJRHWMLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3O/c1-11-10-16(17(22)15-5-3-2-4-14(11)15)12-6-8-13(9-7-12)18(19,20)21/h2-10,22H,1H3.
What are the key properties of 4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol?
4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol has a molecular weight of 302.30 g/mol, XLogP of 5.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol is sourced from PubChem (CID 102084046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).