1-[(Z)-pent-3-enyl]-4-phenoxybenzene

C17H18O — CID 83939005

IUPAC1-[(Z)-pent-3-enyl]-4-phenoxybenzene
SMILESC/C=C\CCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H18O/c1-2-3-5-8-15-11-13-17(14-12-15)18-16-9-6-4-7-10-16/h2-4,6-7,9-14H,5,8H2,1H3/b3-2-
InChIKeyXDTOQBWEJGXNAH-IHWYPQMZSA-N
MW238.33 g/mol
LogP4.99
Rot. Bonds5

About 1-[(Z)-pent-3-enyl]-4-phenoxybenzene

1-[(Z)-pent-3-enyl]-4-phenoxybenzene (PubChem CID 83939005) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(Z)-pent-3-enyl]-4-phenoxybenzene.

Molecular Properties

Compound Name1-[(Z)-pent-3-enyl]-4-phenoxybenzene
PubChem CID83939005
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-[(Z)-pent-3-enyl]-4-phenoxybenzene
SMILESC/C=C\CCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H18O/c1-2-3-5-8-15-11-13-17(14-12-15)18-16-9-6-4-7-10-16/h2-4,6-7,9-14H,5,8H2,1H3/b3-2-
InChIKeyXDTOQBWEJGXNAH-IHWYPQMZSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

pent-3-enylbenzene
CID 519421
1-methoxy-4-[(E)-pent-3-enyl]benzene
CID 15169394
1-ethoxy-4-[(E)-pent-3-enyl]benzene
CID 22095339
1-[(Z)-pent-3-enyl]-4-propan-2-yloxybenzene
CID 83932852
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
1-pent-3-enyl-4-propylbenzene
CID 72599491
1-[(Z)-pent-3-enyl]-4-pentoxybenzene
CID 83932611
1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene
CID 140774698
1-hept-3-enyl-4-pent-3-enylbenzene
CID 123755117
1-(3,3-dimethylbutyl)-4-phenoxybenzene
CID 59674279
1-[(E)-but-2-enyl]-3-phenoxybenzene
CID 23463492
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-pent-3-enyl]-4-phenoxybenzene?
The IUPAC name of 1-[(Z)-pent-3-enyl]-4-phenoxybenzene (CID 83939005) is 1-[(Z)-pent-3-enyl]-4-phenoxybenzene.
What is the SMILES notation for 1-[(Z)-pent-3-enyl]-4-phenoxybenzene?
The canonical SMILES for 1-[(Z)-pent-3-enyl]-4-phenoxybenzene is C/C=C\CCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-[(Z)-pent-3-enyl]-4-phenoxybenzene?
The InChIKey is XDTOQBWEJGXNAH-IHWYPQMZSA-N. The full InChI is InChI=1S/C17H18O/c1-2-3-5-8-15-11-13-17(14-12-15)18-16-9-6-4-7-10-16/h2-4,6-7,9-14H,5,8H2,1H3/b3-2-.
What are the key properties of 1-[(Z)-pent-3-enyl]-4-phenoxybenzene?
1-[(Z)-pent-3-enyl]-4-phenoxybenzene has a molecular weight of 238.33 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-pent-3-enyl]-4-phenoxybenzene is sourced from PubChem (CID 83939005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).