(1-pentyl-3-phenylheptyl)benzene

C24H34 — CID 154153436

IUPAC(1-pentyl-3-phenylheptyl)benzene
SMILESCCCCCC(CC(CCCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34/c1-3-5-9-19-24(22-17-12-8-13-18-22)20-23(14-6-4-2)21-15-10-7-11-16-21/h7-8,10-13,15-18,23-24H,3-6,9,14,19-20H2,1-2H3
InChIKeyZYZDZVDXZMNGDB-UHFFFAOYSA-N
MW322.54 g/mol
LogP7.71
Rot. Bonds11

About (1-pentyl-3-phenylheptyl)benzene

(1-pentyl-3-phenylheptyl)benzene (PubChem CID 154153436) has the molecular formula C24H34 and a molecular weight of 322.54 g/mol. Its IUPAC name is (1-pentyl-3-phenylheptyl)benzene.

Molecular Properties

Compound Name(1-pentyl-3-phenylheptyl)benzene
PubChem CID154153436
Molecular FormulaC24H34
Molecular Weight322.54 g/mol
Exact Mass322.27
IUPAC Name(1-pentyl-3-phenylheptyl)benzene
SMILESCCCCCC(CC(CCCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34/c1-3-5-9-19-24(22-17-12-8-13-18-22)20-23(14-6-4-2)21-15-10-7-11-16-21/h7-8,10-13,15-18,23-24H,3-6,9,14,19-20H2,1-2H3
InChIKeyZYZDZVDXZMNGDB-UHFFFAOYSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

10-phenyltetradecan-5-ylbenzene
CID 22891787
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
octan-3-ylbenzene
CID 519547
(8-ethyl-7-methyltridecan-5-yl)benzene
CID 144851446
CID 58843291
CID 58843291
heptan-3-ylbenzene;methane
CID 159006232
1-chlorooctan-2-ylbenzene
CID 66033446
1-bromododecan-2-ylbenzene
CID 66043461
2-phenylundecan-1-amine
CID 57256894
N,N-dimethyl-1,3-diphenylheptan-1-amine
CID 165348529
1-phenylundecan-2-ylbenzene
CID 22919994

Frequently Asked Questions

What is the IUPAC name of (1-pentyl-3-phenylheptyl)benzene?
The IUPAC name of (1-pentyl-3-phenylheptyl)benzene (CID 154153436) is (1-pentyl-3-phenylheptyl)benzene.
What is the SMILES notation for (1-pentyl-3-phenylheptyl)benzene?
The canonical SMILES for (1-pentyl-3-phenylheptyl)benzene is CCCCCC(CC(CCCC)c1ccccc1)c1ccccc1.
What is the InChIKey of (1-pentyl-3-phenylheptyl)benzene?
The InChIKey is ZYZDZVDXZMNGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34/c1-3-5-9-19-24(22-17-12-8-13-18-22)20-23(14-6-4-2)21-15-10-7-11-16-21/h7-8,10-13,15-18,23-24H,3-6,9,14,19-20H2,1-2H3.
What are the key properties of (1-pentyl-3-phenylheptyl)benzene?
(1-pentyl-3-phenylheptyl)benzene has a molecular weight of 322.54 g/mol, XLogP of 7.71, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentyl-3-phenylheptyl)benzene is sourced from PubChem (CID 154153436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).