2-[(E)-4-phenylbut-1-enyl]-3-propan-2-ylnaphthalene

C23H24 — CID 100923173

IUPAC2-[(E)-4-phenylbut-1-enyl]-3-propan-2-ylnaphthalene
SMILESCC(C)c1cc2ccccc2cc1/C=C/CCc1ccccc1
InChIInChI=1S/C23H24/c1-18(2)23-17-21-14-9-8-13-20(21)16-22(23)15-7-6-12-19-10-4-3-5-11-19/h3-5,7-11,13-18H,6,12H2,1-2H3/b15-7+
InChIKeyOQDUUYHPIUIGKP-VIZOYTHASA-N
MW300.44 g/mol
LogP6.61
Rot. Bonds5

About 2-[(E)-4-phenylbut-1-enyl]-3-propan-2-ylnaphthalene

2-[(E)-4-phenylbut-1-enyl]-3-propan-2-ylnaphthalene (PubChem CID 100923173) has the molecular formula C23H24 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-[(E)-4-phenylbut-1-enyl]-3-propan-2-ylnaphthalene.

Molecular Properties

Compound Name2-[(E)-4-phenylbut-1-enyl]-3-propan-2-ylnaphthalene
PubChem CID100923173
Molecular FormulaC23H24
Molecular Weight300.44 g/mol
Exact Mass300.19
IUPAC Name2-[(E)-4-phenylbut-1-enyl]-3-propan-2-ylnaphthalene
SMILESCC(C)c1cc2ccccc2cc1/C=C/CCc1ccccc1
InChIInChI=1S/C23H24/c1-18(2)23-17-21-14-9-8-13-20(21)16-22(23)15-7-6-12-19-10-4-3-5-11-19/h3-5,7-11,13-18H,6,12H2,1-2H3/b15-7+
InChIKeyOQDUUYHPIUIGKP-VIZOYTHASA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.44
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyl-3-[(E)-4-phenylbut-1-enyl]naphthalene
CID 100923189
[(Z)-5-methylhex-3-enyl]benzene
CID 13403768
methanamine;naphthalene;3-phenylpropanal;propane
CID 144589315
pent-3-enylbenzene
CID 519421
1-isocyano-2-[(E)-4-phenylbut-1-enyl]benzene
CID 101169425
1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene
CID 102140920
[2-[(E)-4-phenylbut-1-enyl]-4-(2-phenylethoxy)phenyl]boronic acid
CID 58343944
4-oxo-5-[(E)-4-phenylbut-1-enyl]pyran-2-carboxylic acid
CID 59364486
(Z)-2-methyl-7-phenylhept-4-en-3-one
CID 101116591
2-[(E)-hexadec-3-enyl]naphthalene
CID 101307554
hepta-3,5-dienylbenzene
CID 54230830
[(3E,5Z)-hepta-3,5-dienyl]benzene
CID 12021636

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-phenylbut-1-enyl]-3-propan-2-ylnaphthalene?
The IUPAC name of 2-[(E)-4-phenylbut-1-enyl]-3-propan-2-ylnaphthalene (CID 100923173) is 2-[(E)-4-phenylbut-1-enyl]-3-propan-2-ylnaphthalene.
What is the SMILES notation for 2-[(E)-4-phenylbut-1-enyl]-3-propan-2-ylnaphthalene?
The canonical SMILES for 2-[(E)-4-phenylbut-1-enyl]-3-propan-2-ylnaphthalene is CC(C)c1cc2ccccc2cc1/C=C/CCc1ccccc1.
What is the InChIKey of 2-[(E)-4-phenylbut-1-enyl]-3-propan-2-ylnaphthalene?
The InChIKey is OQDUUYHPIUIGKP-VIZOYTHASA-N. The full InChI is InChI=1S/C23H24/c1-18(2)23-17-21-14-9-8-13-20(21)16-22(23)15-7-6-12-19-10-4-3-5-11-19/h3-5,7-11,13-18H,6,12H2,1-2H3/b15-7+.
What are the key properties of 2-[(E)-4-phenylbut-1-enyl]-3-propan-2-ylnaphthalene?
2-[(E)-4-phenylbut-1-enyl]-3-propan-2-ylnaphthalene has a molecular weight of 300.44 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-phenylbut-1-enyl]-3-propan-2-ylnaphthalene is sourced from PubChem (CID 100923173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).