1-pentadecyl-4-phenylbenzene

C27H40 — CID 57166115

IUPAC1-pentadecyl-4-phenylbenzene
SMILESCCCCCCCCCCCCCCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-25-21-23-27(24-22-25)26-19-16-14-17-20-26/h14,16-17,19-24H,2-13,15,18H2,1H3
InChIKeyVEZLATVHAUSKRL-UHFFFAOYSA-N
MW364.62 g/mol
LogP8.99
Rot. Bonds15

About 1-pentadecyl-4-phenylbenzene

1-pentadecyl-4-phenylbenzene (PubChem CID 57166115) has the molecular formula C27H40 and a molecular weight of 364.62 g/mol. Its IUPAC name is 1-pentadecyl-4-phenylbenzene.

Molecular Properties

Compound Name1-pentadecyl-4-phenylbenzene
PubChem CID57166115
Molecular FormulaC27H40
Molecular Weight364.62 g/mol
Exact Mass364.31
IUPAC Name1-pentadecyl-4-phenylbenzene
SMILESCCCCCCCCCCCCCCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-25-21-23-27(24-22-25)26-19-16-14-17-20-26/h14,16-17,19-24H,2-13,15,18H2,1H3
InChIKeyVEZLATVHAUSKRL-UHFFFAOYSA-N
XLogP8.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 58.99
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

1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-butyl-4-phenylbenzene;ethane
CID 143743409
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
disodium;1-dodecyl-4-phenylbenzene;ethoxyethane;hydride
CID 173234831
octaoctacontylbenzene
CID 165359374
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
pentanonacontylbenzene
CID 165359347
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021

Frequently Asked Questions

What is the IUPAC name of 1-pentadecyl-4-phenylbenzene?
The IUPAC name of 1-pentadecyl-4-phenylbenzene (CID 57166115) is 1-pentadecyl-4-phenylbenzene.
What is the SMILES notation for 1-pentadecyl-4-phenylbenzene?
The canonical SMILES for 1-pentadecyl-4-phenylbenzene is CCCCCCCCCCCCCCCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-pentadecyl-4-phenylbenzene?
The InChIKey is VEZLATVHAUSKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-25-21-23-27(24-22-25)26-19-16-14-17-20-26/h14,16-17,19-24H,2-13,15,18H2,1H3.
What are the key properties of 1-pentadecyl-4-phenylbenzene?
1-pentadecyl-4-phenylbenzene has a molecular weight of 364.62 g/mol, XLogP of 8.99, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentadecyl-4-phenylbenzene is sourced from PubChem (CID 57166115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).