6-methyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol

C17H15F3O — CID 142035349

IUPAC6-methyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCc1ccc2c(c1)CCC(O)(c1cc(F)c(F)c(F)c1)C2
InChIInChI=1S/C17H15F3O/c1-10-2-3-12-9-17(21,5-4-11(12)6-10)13-7-14(18)16(20)15(19)8-13/h2-3,6-8,21H,4-5,9H2,1H3
InChIKeyMPGAROKNXAVKTI-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.79
Rot. Bonds1

About 6-methyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol

6-methyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 142035349) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 6-methyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name6-methyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID142035349
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name6-methyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCc1ccc2c(c1)CCC(O)(c1cc(F)c(F)c(F)c1)C2
InChIInChI=1S/C17H15F3O/c1-10-2-3-12-9-17(21,5-4-11(12)6-10)13-7-14(18)16(20)15(19)8-13/h2-3,6-8,21H,4-5,9H2,1H3
InChIKeyMPGAROKNXAVKTI-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 6-methyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol (CID 142035349) is 6-methyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 6-methyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 6-methyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol is Cc1ccc2c(c1)CCC(O)(c1cc(F)c(F)c(F)c1)C2.
What is the InChIKey of 6-methyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is MPGAROKNXAVKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c1-10-2-3-12-9-17(21,5-4-11(12)6-10)13-7-14(18)16(20)15(19)8-13/h2-3,6-8,21H,4-5,9H2,1H3.
What are the key properties of 6-methyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol?
6-methyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 292.30 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 142035349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).