4-phenyl-3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene

C20H24 — CID 178126130

IUPAC4-phenyl-3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESCCCc1ccc2c(c1-c1ccccc1)CCCCC2
InChIInChI=1S/C20H24/c1-2-9-17-15-14-16-10-5-4-8-13-19(16)20(17)18-11-6-3-7-12-18/h3,6-7,11-12,14-15H,2,4-5,8-10,13H2,1H3
InChIKeyVZTJXANIXNHTJA-UHFFFAOYSA-N
MW264.41 g/mol
LogP5.57
Rot. Bonds3

About 4-phenyl-3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene

4-phenyl-3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene (PubChem CID 178126130) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-phenyl-3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene.

Molecular Properties

Compound Name4-phenyl-3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
PubChem CID178126130
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Name4-phenyl-3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESCCCc1ccc2c(c1-c1ccccc1)CCCCC2
InChIInChI=1S/C20H24/c1-2-9-17-15-14-16-10-5-4-8-13-19(16)20(17)18-11-6-3-7-12-18/h3,6-7,11-12,14-15H,2,4-5,8-10,13H2,1H3
InChIKeyVZTJXANIXNHTJA-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The IUPAC name of 4-phenyl-3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene (CID 178126130) is 4-phenyl-3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene.
What is the SMILES notation for 4-phenyl-3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The canonical SMILES for 4-phenyl-3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene is CCCc1ccc2c(c1-c1ccccc1)CCCCC2.
What is the InChIKey of 4-phenyl-3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The InChIKey is VZTJXANIXNHTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24/c1-2-9-17-15-14-16-10-5-4-8-13-19(16)20(17)18-11-6-3-7-12-18/h3,6-7,11-12,14-15H,2,4-5,8-10,13H2,1H3.
What are the key properties of 4-phenyl-3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
4-phenyl-3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene has a molecular weight of 264.41 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene is sourced from PubChem (CID 178126130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).