5-phenoxypent-1-enylbenzene

C17H18O — CID 173201484

IUPAC5-phenoxypent-1-enylbenzene
SMILESC(=Cc1ccccc1)CCCOc1ccccc1
InChIInChI=1S/C17H18O/c1-4-10-16(11-5-1)12-6-3-9-15-18-17-13-7-2-8-14-17/h1-2,4-8,10-14H,3,9,15H2
InChIKeyGRVYPFOAIFSDCC-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.56
Rot. Bonds6

About 5-phenoxypent-1-enylbenzene

5-phenoxypent-1-enylbenzene (PubChem CID 173201484) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-phenoxypent-1-enylbenzene.

Molecular Properties

Compound Name5-phenoxypent-1-enylbenzene
PubChem CID173201484
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name5-phenoxypent-1-enylbenzene
SMILESC(=Cc1ccccc1)CCCOc1ccccc1
InChIInChI=1S/C17H18O/c1-4-10-16(11-5-1)12-6-3-9-15-18-17-13-7-2-8-14-17/h1-2,4-8,10-14H,3,9,15H2
InChIKeyGRVYPFOAIFSDCC-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxypent-1-enylbenzene
CID 54285670
ethyl 3-[4-(5-phenoxypent-1-enyl)phenyl]propanoate
CID 69074158
6-phenylhex-5-enoxysilane
CID 123359434
[(E)-5-bromopent-1-enyl]benzene
CID 10977131
[(E)-5-iodopent-1-enyl]benzene
CID 87330563
1-(3-chloropropoxy)-4-[(E)-2-phenylethenyl]benzene
CID 23150283
6-phenylhex-5-enyl formate
CID 91069626
[(E)-6-bromohex-1-enyl]benzene
CID 11172477
[(E)-octadec-1-enyl]benzene
CID 22722345
(E)-9-phenylnon-8-en-1-ol
CID 10489025
trimethoxy(5-phenylpent-4-enyl)silane
CID 57062369
buta-1,3-diene;6-chlorohex-1-enylbenzene
CID 173180701

Frequently Asked Questions

What is the IUPAC name of 5-phenoxypent-1-enylbenzene?
The IUPAC name of 5-phenoxypent-1-enylbenzene (CID 173201484) is 5-phenoxypent-1-enylbenzene.
What is the SMILES notation for 5-phenoxypent-1-enylbenzene?
The canonical SMILES for 5-phenoxypent-1-enylbenzene is C(=Cc1ccccc1)CCCOc1ccccc1.
What is the InChIKey of 5-phenoxypent-1-enylbenzene?
The InChIKey is GRVYPFOAIFSDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-4-10-16(11-5-1)12-6-3-9-15-18-17-13-7-2-8-14-17/h1-2,4-8,10-14H,3,9,15H2.
What are the key properties of 5-phenoxypent-1-enylbenzene?
5-phenoxypent-1-enylbenzene has a molecular weight of 238.33 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxypent-1-enylbenzene is sourced from PubChem (CID 173201484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).