1-(1-phenylpentoxy)prop-2-enylbenzene

C20H24O — CID 173002800

IUPAC1-(1-phenylpentoxy)prop-2-enylbenzene
SMILESC=CC(OC(CCCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O/c1-3-5-16-20(18-14-10-7-11-15-18)21-19(4-2)17-12-8-6-9-13-17/h4,6-15,19-20H,2-3,5,16H2,1H3
InChIKeyFPHZJFHDGGBYJX-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.86
Rot. Bonds8

About 1-(1-phenylpentoxy)prop-2-enylbenzene

1-(1-phenylpentoxy)prop-2-enylbenzene (PubChem CID 173002800) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(1-phenylpentoxy)prop-2-enylbenzene.

Molecular Properties

Compound Name1-(1-phenylpentoxy)prop-2-enylbenzene
PubChem CID173002800
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-(1-phenylpentoxy)prop-2-enylbenzene
SMILESC=CC(OC(CCCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O/c1-3-5-16-20(18-14-10-7-11-15-18)21-19(4-2)17-12-8-6-9-13-17/h4,6-15,19-20H,2-3,5,16H2,1H3
InChIKeyFPHZJFHDGGBYJX-UHFFFAOYSA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.86
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

1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
1-tridecoxyprop-2-enylbenzene
CID 139672746
1-nonadecoxyprop-2-enylbenzene
CID 139672742
1-phenylpentyl formate
CID 54289292
1-[1-[1-(1-phenylprop-2-enoxy)ethylsulfanyl]ethoxy]prop-2-enylbenzene
CID 19001747
[(1R)-1-ethenoxybutyl]benzene
CID 11469385
1-methoxyprop-2-enylbenzene
CID 11029990
1-phenoxyprop-2-enylbenzene
CID 11735962
(1S)-2-ethenyl-1-phenylhexan-1-ol
CID 135057240
oct-1-en-4-ylbenzene
CID 22247233
1-(1-propan-2-yloxybutan-2-yloxy)prop-2-enylbenzene
CID 174583749
1-(2-methoxyethoxy)pentylbenzene
CID 10977044

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpentoxy)prop-2-enylbenzene?
The IUPAC name of 1-(1-phenylpentoxy)prop-2-enylbenzene (CID 173002800) is 1-(1-phenylpentoxy)prop-2-enylbenzene.
What is the SMILES notation for 1-(1-phenylpentoxy)prop-2-enylbenzene?
The canonical SMILES for 1-(1-phenylpentoxy)prop-2-enylbenzene is C=CC(OC(CCCC)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1-phenylpentoxy)prop-2-enylbenzene?
The InChIKey is FPHZJFHDGGBYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-3-5-16-20(18-14-10-7-11-15-18)21-19(4-2)17-12-8-6-9-13-17/h4,6-15,19-20H,2-3,5,16H2,1H3.
What are the key properties of 1-(1-phenylpentoxy)prop-2-enylbenzene?
1-(1-phenylpentoxy)prop-2-enylbenzene has a molecular weight of 280.41 g/mol, XLogP of 5.86, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpentoxy)prop-2-enylbenzene is sourced from PubChem (CID 173002800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).