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

C19H19F3O — CID 22709063

IUPAC6-propyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCCCc1ccc2c(c1)CCC(O)(c1cc(F)c(F)c(F)c1)C2
InChIInChI=1S/C19H19F3O/c1-2-3-12-4-5-14-11-19(23,7-6-13(14)8-12)15-9-16(20)18(22)17(21)10-15/h4-5,8-10,23H,2-3,6-7,11H2,1H3
InChIKeySBFVNDZMFRQTGZ-UHFFFAOYSA-N
MW320.35 g/mol
LogP4.43
Rot. Bonds3

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

6-propyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 22709063) has the molecular formula C19H19F3O and a molecular weight of 320.35 g/mol. Its IUPAC name is 6-propyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name6-propyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID22709063
Molecular FormulaC19H19F3O
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name6-propyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCCCc1ccc2c(c1)CCC(O)(c1cc(F)c(F)c(F)c1)C2
InChIInChI=1S/C19H19F3O/c1-2-3-12-4-5-14-11-19(23,7-6-13(14)8-12)15-9-16(20)18(22)17(21)10-15/h4-5,8-10,23H,2-3,6-7,11H2,1H3
InChIKeySBFVNDZMFRQTGZ-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.43
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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Related Compounds

6-methyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 142035349
3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 59134563
5-fluoro-1-(4-propylphenyl)-2,3-dihydroinden-1-ol
CID 116531708
1,3-difluoro-5-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)benzene
CID 86196386
1-(4-propylphenyl)cyclobutan-1-ol
CID 79080570
1-(4-propylphenyl)cyclopentan-1-ol
CID 62802063
3-(4-propylphenyl)thietan-3-ol
CID 130914921
1,2,3-trifluoro-5-[[4-(4-propylphenyl)phenoxy]methyl]benzene
CID 90411734
(3,4,5-trifluorophenyl) 4-(4-propylphenyl)benzoate
CID 19035307
fluoromethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 161382729
ethane;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 144658313
2,7-dipropyl-9,10-dihydrophenanthrene
CID 159085021

Frequently Asked Questions

What is the IUPAC name of 6-propyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 6-propyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol (CID 22709063) is 6-propyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 6-propyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 6-propyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol is CCCc1ccc2c(c1)CCC(O)(c1cc(F)c(F)c(F)c1)C2.
What is the InChIKey of 6-propyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is SBFVNDZMFRQTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3O/c1-2-3-12-4-5-14-11-19(23,7-6-13(14)8-12)15-9-16(20)18(22)17(21)10-15/h4-5,8-10,23H,2-3,6-7,11H2,1H3.
What are the key properties of 6-propyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol?
6-propyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 320.35 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 22709063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).