1-(3-phenylpropa-1,2-dienyl)-2-prop-2-enoxybenzene

C18H16O — CID 71560134

IUPAC1-(3-phenylpropa-1,2-dienyl)-2-prop-2-enoxybenzene
SMILESC=CCOc1ccccc1C=C=Cc1ccccc1
InChIInChI=1S/C18H16O/c1-2-15-19-18-14-7-6-12-17(18)13-8-11-16-9-4-3-5-10-16/h2-7,9-14H,1,15H2
InChIKeyPSSWXFQNCFAQHL-UHFFFAOYSA-N
MW248.32 g/mol
LogP4.58
Rot. Bonds5

About 1-(3-phenylpropa-1,2-dienyl)-2-prop-2-enoxybenzene

1-(3-phenylpropa-1,2-dienyl)-2-prop-2-enoxybenzene (PubChem CID 71560134) has the molecular formula C18H16O and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-(3-phenylpropa-1,2-dienyl)-2-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-(3-phenylpropa-1,2-dienyl)-2-prop-2-enoxybenzene
PubChem CID71560134
Molecular FormulaC18H16O
Molecular Weight248.32 g/mol
Exact Mass248.12
IUPAC Name1-(3-phenylpropa-1,2-dienyl)-2-prop-2-enoxybenzene
SMILESC=CCOc1ccccc1C=C=Cc1ccccc1
InChIInChI=1S/C18H16O/c1-2-15-19-18-14-7-6-12-17(18)13-8-11-16-9-4-3-5-10-16/h2-7,9-14H,1,15H2
InChIKeyPSSWXFQNCFAQHL-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.58
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

N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 659181
3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol
CID 79335813
(Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid
CID 43352799
1-ethenyl-2-prop-2-enoxybenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
CID 174952224
CID 54342981
CID 54342981
N-methyl-N-phenyl-2-[(2-prop-2-enoxyphenyl)methylideneamino]aniline
CID 56946440
phenyl-(2-prop-2-enoxyphenyl)methanethione
CID 14227059
1-(2-chloroethoxy)-2-[(E)-2-phenylethenyl]benzene
CID 22755686
2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5131254
1,2,3-tris(ethenyl)-4-(3-phenylpropa-1,2-dienyl)-5-[3,4,5-tris(ethenyl)-2-(3-phenylpropa-1,2-dienyl)phenoxy]benzene
CID 151247220
1-[2-(bromomethyl)-3-methylbut-1-enyl]-2-prop-2-enoxybenzene
CID 79323305
2,3-bis(prop-2-enoxy)benzonitrile
CID 118571042

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropa-1,2-dienyl)-2-prop-2-enoxybenzene?
The IUPAC name of 1-(3-phenylpropa-1,2-dienyl)-2-prop-2-enoxybenzene (CID 71560134) is 1-(3-phenylpropa-1,2-dienyl)-2-prop-2-enoxybenzene.
What is the SMILES notation for 1-(3-phenylpropa-1,2-dienyl)-2-prop-2-enoxybenzene?
The canonical SMILES for 1-(3-phenylpropa-1,2-dienyl)-2-prop-2-enoxybenzene is C=CCOc1ccccc1C=C=Cc1ccccc1.
What is the InChIKey of 1-(3-phenylpropa-1,2-dienyl)-2-prop-2-enoxybenzene?
The InChIKey is PSSWXFQNCFAQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c1-2-15-19-18-14-7-6-12-17(18)13-8-11-16-9-4-3-5-10-16/h2-7,9-14H,1,15H2.
What are the key properties of 1-(3-phenylpropa-1,2-dienyl)-2-prop-2-enoxybenzene?
1-(3-phenylpropa-1,2-dienyl)-2-prop-2-enoxybenzene has a molecular weight of 248.32 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropa-1,2-dienyl)-2-prop-2-enoxybenzene is sourced from PubChem (CID 71560134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).