1-ethenyl-2-[phenyl(prop-2-enoxy)methyl]benzene

C18H18O — CID 69207509

IUPAC1-ethenyl-2-[phenyl(prop-2-enoxy)methyl]benzene
SMILESC=CCOC(c1ccccc1)c1ccccc1C=C
InChIInChI=1S/C18H18O/c1-3-14-19-18(16-11-6-5-7-12-16)17-13-9-8-10-15(17)4-2/h3-13,18H,1-2,14H2
InChIKeyCSPRWUUJWWBKMW-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.62
Rot. Bonds6

About 1-ethenyl-2-[phenyl(prop-2-enoxy)methyl]benzene

1-ethenyl-2-[phenyl(prop-2-enoxy)methyl]benzene (PubChem CID 69207509) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-ethenyl-2-[phenyl(prop-2-enoxy)methyl]benzene.

Molecular Properties

Compound Name1-ethenyl-2-[phenyl(prop-2-enoxy)methyl]benzene
PubChem CID69207509
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name1-ethenyl-2-[phenyl(prop-2-enoxy)methyl]benzene
SMILESC=CCOC(c1ccccc1)c1ccccc1C=C
InChIInChI=1S/C18H18O/c1-3-14-19-18(16-11-6-5-7-12-16)17-13-9-8-10-15(17)4-2/h3-13,18H,1-2,14H2
InChIKeyCSPRWUUJWWBKMW-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.62
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-ethenyl-2-[methoxy(phenyl)methyl]benzene
CID 174513037
(R)-phenyl(prop-2-enoxy)methanol
CID 97012117
1-ethenyl-2-pentan-3-ylbenzene
CID 20542388
1-fluoro-4-[(4-fluorophenyl)-prop-2-enoxymethyl]benzene
CID 122382363
(2R)-1,2-diphenyl-2-prop-2-enoxyethanone
CID 10912011
(2-methyl-1-prop-2-enoxyprop-2-enyl)benzene
CID 15361416
1-benzhydryloxypropan-2-ol;prop-2-enoic acid
CID 175126068
(E)-2-methyl-4-phenyl-4-prop-2-enoxybut-2-enal
CID 132573827
4-[(2-ethenylphenyl)-phenylmethyl]-N,N-dimethylaniline
CID 150187096
[ethenoxy(phenyl)methyl]benzene
CID 11401563
2-phenyl-2-prop-2-enoxyacetate
CID 131736719
1-(2-ethenylphenyl)ethanethiol
CID 22186241

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-[phenyl(prop-2-enoxy)methyl]benzene?
The IUPAC name of 1-ethenyl-2-[phenyl(prop-2-enoxy)methyl]benzene (CID 69207509) is 1-ethenyl-2-[phenyl(prop-2-enoxy)methyl]benzene.
What is the SMILES notation for 1-ethenyl-2-[phenyl(prop-2-enoxy)methyl]benzene?
The canonical SMILES for 1-ethenyl-2-[phenyl(prop-2-enoxy)methyl]benzene is C=CCOC(c1ccccc1)c1ccccc1C=C.
What is the InChIKey of 1-ethenyl-2-[phenyl(prop-2-enoxy)methyl]benzene?
The InChIKey is CSPRWUUJWWBKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-3-14-19-18(16-11-6-5-7-12-16)17-13-9-8-10-15(17)4-2/h3-13,18H,1-2,14H2.
What are the key properties of 1-ethenyl-2-[phenyl(prop-2-enoxy)methyl]benzene?
1-ethenyl-2-[phenyl(prop-2-enoxy)methyl]benzene has a molecular weight of 250.34 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-[phenyl(prop-2-enoxy)methyl]benzene is sourced from PubChem (CID 69207509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).