1-benzyl-4-hexoxynaphthalene

C23H26O — CID 10245349

IUPAC1-benzyl-4-hexoxynaphthalene
SMILESCCCCCCOc1ccc(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C23H26O/c1-2-3-4-10-17-24-23-16-15-20(18-19-11-6-5-7-12-19)21-13-8-9-14-22(21)23/h5-9,11-16H,2-4,10,17-18H2,1H3
InChIKeyKLHOKTYNVOILIX-UHFFFAOYSA-N
MW318.46 g/mol
LogP6.39
Rot. Bonds8

About 1-benzyl-4-hexoxynaphthalene

1-benzyl-4-hexoxynaphthalene (PubChem CID 10245349) has the molecular formula C23H26O and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-benzyl-4-hexoxynaphthalene.

Molecular Properties

Compound Name1-benzyl-4-hexoxynaphthalene
PubChem CID10245349
Molecular FormulaC23H26O
Molecular Weight318.46 g/mol
Exact Mass318.20
IUPAC Name1-benzyl-4-hexoxynaphthalene
SMILESCCCCCCOc1ccc(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C23H26O/c1-2-3-4-10-17-24-23-16-15-20(18-19-11-6-5-7-12-19)21-13-8-9-14-22(21)23/h5-9,11-16H,2-4,10,17-18H2,1H3
InChIKeyKLHOKTYNVOILIX-UHFFFAOYSA-N
XLogP6.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-benzyl-4-hexoxynaphthalene 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

Etofenprox
CID 71245
2-Methoxynaphthalene
CID 7119
Cra 13
CID 9799417
2-((1-Naphthalenyloxy)methyl)oxirane
CID 91521
2-Ethoxynaphthalene
CID 7129
1-Methoxynaphthalene
CID 16668
2-(2-Methylpropoxy)naphthalene
CID 16582
Ethyl 3-oxo-3H-naphtho(2,1-b)pyran-2-carboxylate
CID 69774
1,4-Dimethoxyanthracene
CID 83107
Benzyl 2-naphthyl ether
CID 123080
Butyl beta-naphthyl ether
CID 82664
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-hexoxynaphthalene?
The IUPAC name of 1-benzyl-4-hexoxynaphthalene (CID 10245349) is 1-benzyl-4-hexoxynaphthalene.
What is the SMILES notation for 1-benzyl-4-hexoxynaphthalene?
The canonical SMILES for 1-benzyl-4-hexoxynaphthalene is CCCCCCOc1ccc(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-4-hexoxynaphthalene?
The InChIKey is KLHOKTYNVOILIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O/c1-2-3-4-10-17-24-23-16-15-20(18-19-11-6-5-7-12-19)21-13-8-9-14-22(21)23/h5-9,11-16H,2-4,10,17-18H2,1H3.
What are the key properties of 1-benzyl-4-hexoxynaphthalene?
1-benzyl-4-hexoxynaphthalene has a molecular weight of 318.46 g/mol, XLogP of 6.39, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-hexoxynaphthalene is sourced from PubChem (CID 10245349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).