1-phenylundecan-2-ylbenzene

C23H32 — CID 22919994

IUPAC1-phenylundecan-2-ylbenzene
SMILESCCCCCCCCCC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H32/c1-2-3-4-5-6-7-12-19-23(22-17-13-9-14-18-22)20-21-15-10-8-11-16-21/h8-11,13-18,23H,2-7,12,19-20H2,1H3
InChIKeyFLNUHGJZOFVPDC-UHFFFAOYSA-N
MW308.51 g/mol
LogP7.15
Rot. Bonds11

About 1-phenylundecan-2-ylbenzene

1-phenylundecan-2-ylbenzene (PubChem CID 22919994) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-phenylundecan-2-ylbenzene.

Molecular Properties

Compound Name1-phenylundecan-2-ylbenzene
PubChem CID22919994
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name1-phenylundecan-2-ylbenzene
SMILESCCCCCCCCCC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H32/c1-2-3-4-5-6-7-12-19-23(22-17-13-9-14-18-22)20-21-15-10-8-11-16-21/h8-11,13-18,23H,2-7,12,19-20H2,1H3
InChIKeyFLNUHGJZOFVPDC-UHFFFAOYSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 57.15
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

1-phenyltridecan-2-ylbenzene
CID 22919631
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
2-(2-phenylheptyl)naphthalene
CID 174423017
octan-3-ylbenzene
CID 519547
10-phenyltetradecan-5-ylbenzene
CID 22891787
1-chlorooctan-2-ylbenzene
CID 66033446
1-bromododecan-2-ylbenzene
CID 66043461
2-phenylundecan-1-amine
CID 57256894
2-benzyltetradecylbenzene
CID 22920205
(1-pentyl-3-phenylheptyl)benzene
CID 154153436
3-phenylundecan-1-ol
CID 101150144

Frequently Asked Questions

What is the IUPAC name of 1-phenylundecan-2-ylbenzene?
The IUPAC name of 1-phenylundecan-2-ylbenzene (CID 22919994) is 1-phenylundecan-2-ylbenzene.
What is the SMILES notation for 1-phenylundecan-2-ylbenzene?
The canonical SMILES for 1-phenylundecan-2-ylbenzene is CCCCCCCCCC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenylundecan-2-ylbenzene?
The InChIKey is FLNUHGJZOFVPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32/c1-2-3-4-5-6-7-12-19-23(22-17-13-9-14-18-22)20-21-15-10-8-11-16-21/h8-11,13-18,23H,2-7,12,19-20H2,1H3.
What are the key properties of 1-phenylundecan-2-ylbenzene?
1-phenylundecan-2-ylbenzene has a molecular weight of 308.51 g/mol, XLogP of 7.15, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylundecan-2-ylbenzene is sourced from PubChem (CID 22919994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).