1-[2-(1-phenylpropan-2-yl)hexyl]naphthalene

C25H30 — CID 91421580

IUPAC1-[2-(1-phenylpropan-2-yl)hexyl]naphthalene
SMILESCCCCC(Cc1cccc2ccccc12)C(C)Cc1ccccc1
InChIInChI=1S/C25H30/c1-3-4-13-23(20(2)18-21-11-6-5-7-12-21)19-24-16-10-15-22-14-8-9-17-25(22)24/h5-12,14-17,20,23H,3-4,13,18-19H2,1-2H3
InChIKeyROHIFDCQYCUFDT-UHFFFAOYSA-N
MW330.52 g/mol
LogP7.07
Rot. Bonds8

About 1-[2-(1-phenylpropan-2-yl)hexyl]naphthalene

1-[2-(1-phenylpropan-2-yl)hexyl]naphthalene (PubChem CID 91421580) has the molecular formula C25H30 and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-[2-(1-phenylpropan-2-yl)hexyl]naphthalene.

Molecular Properties

Compound Name1-[2-(1-phenylpropan-2-yl)hexyl]naphthalene
PubChem CID91421580
Molecular FormulaC25H30
Molecular Weight330.52 g/mol
Exact Mass330.23
IUPAC Name1-[2-(1-phenylpropan-2-yl)hexyl]naphthalene
SMILESCCCCC(Cc1cccc2ccccc12)C(C)Cc1ccccc1
InChIInChI=1S/C25H30/c1-3-4-13-23(20(2)18-21-11-6-5-7-12-21)19-24-16-10-15-22-14-8-9-17-25(22)24/h5-12,14-17,20,23H,3-4,13,18-19H2,1-2H3
InChIKeyROHIFDCQYCUFDT-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[2-(1-phenylpropan-2-yl)hexyl]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-propan-2-ylhexyl)anthracene
CID 161352353
1-(2-methylhexadecyl)naphthalene
CID 139758361
1-(hexan-2-yloxymethyl)naphthalene
CID 126552542
3-methyl-1-naphthalen-1-ylhexan-2-amine
CID 61078654
1-butylnaphthalene;ethane
CID 142087052
1-naphthalen-1-ylnonan-2-ol
CID 19902465
1-(2-bromodecyl)naphthalene
CID 65428546
azane;1-butylnaphthalene;methane
CID 174691035
1-tetradecylnaphthalene
CID 14402128
2-methyl-1-phenyltetradecan-3-ol;hydrate
CID 173347610
(3-bromo-2-methylhexyl)benzene
CID 83051885
2-methyl-3-naphthalen-1-ylpropane-1,1-diol
CID 20647931

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-phenylpropan-2-yl)hexyl]naphthalene?
The IUPAC name of 1-[2-(1-phenylpropan-2-yl)hexyl]naphthalene (CID 91421580) is 1-[2-(1-phenylpropan-2-yl)hexyl]naphthalene.
What is the SMILES notation for 1-[2-(1-phenylpropan-2-yl)hexyl]naphthalene?
The canonical SMILES for 1-[2-(1-phenylpropan-2-yl)hexyl]naphthalene is CCCCC(Cc1cccc2ccccc12)C(C)Cc1ccccc1.
What is the InChIKey of 1-[2-(1-phenylpropan-2-yl)hexyl]naphthalene?
The InChIKey is ROHIFDCQYCUFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30/c1-3-4-13-23(20(2)18-21-11-6-5-7-12-21)19-24-16-10-15-22-14-8-9-17-25(22)24/h5-12,14-17,20,23H,3-4,13,18-19H2,1-2H3.
What are the key properties of 1-[2-(1-phenylpropan-2-yl)hexyl]naphthalene?
1-[2-(1-phenylpropan-2-yl)hexyl]naphthalene has a molecular weight of 330.52 g/mol, XLogP of 7.07, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-phenylpropan-2-yl)hexyl]naphthalene is sourced from PubChem (CID 91421580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).