1-phenyl-3-propylbenzene

C15H16 — CID 4110465

IUPAC1-phenyl-3-propylbenzene
SMILESCCCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C15H16/c1-2-7-13-8-6-11-15(12-13)14-9-4-3-5-10-14/h3-6,8-12H,2,7H2,1H3
InChIKeyRCUNAXHDZAPPSA-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.31
Rot. Bonds3

About 1-phenyl-3-propylbenzene

1-phenyl-3-propylbenzene (PubChem CID 4110465) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-phenyl-3-propylbenzene.

Molecular Properties

Compound Name1-phenyl-3-propylbenzene
PubChem CID4110465
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name1-phenyl-3-propylbenzene
SMILESCCCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C15H16/c1-2-7-13-8-6-11-15(12-13)14-9-4-3-5-10-14/h3-6,8-12H,2,7H2,1H3
InChIKeyRCUNAXHDZAPPSA-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-phenyl-2-(3-propylphenyl)pyridine
CID 144632078
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
1-ethyl-3-phenylbenzene;propane
CID 145466525
1-phenyl-3-(3-phenylpropyl)benzene
CID 153492299
[3-(4-propylphenyl)phenyl]methanol
CID 1393732
1-methyl-2-(3-propylphenyl)benzene
CID 143365994
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
1-(3-methylbutyl)-3-phenylbenzene
CID 21063782
3-(3-propylphenyl)pyridine
CID 69055272
1-ethenyl-3-(3-propylphenyl)benzene
CID 90994074
N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine
CID 116545296
1-(difluoromethoxy)-4-(3-propylphenyl)benzene
CID 67565840

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-propylbenzene?
The IUPAC name of 1-phenyl-3-propylbenzene (CID 4110465) is 1-phenyl-3-propylbenzene.
What is the SMILES notation for 1-phenyl-3-propylbenzene?
The canonical SMILES for 1-phenyl-3-propylbenzene is CCCc1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-3-propylbenzene?
The InChIKey is RCUNAXHDZAPPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-2-7-13-8-6-11-15(12-13)14-9-4-3-5-10-14/h3-6,8-12H,2,7H2,1H3.
What are the key properties of 1-phenyl-3-propylbenzene?
1-phenyl-3-propylbenzene has a molecular weight of 196.29 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-propylbenzene is sourced from PubChem (CID 4110465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).