1-ethenyl-2-[methoxy(phenyl)methyl]benzene

C16H16O — CID 174513037

IUPAC1-ethenyl-2-[methoxy(phenyl)methyl]benzene
SMILESC=Cc1ccccc1C(OC)c1ccccc1
InChIInChI=1S/C16H16O/c1-3-13-9-7-8-12-15(13)16(17-2)14-10-5-4-6-11-14/h3-12,16H,1H2,2H3
InChIKeyGRYDPGJGYFYRBX-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.07
Rot. Bonds4

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

1-ethenyl-2-[methoxy(phenyl)methyl]benzene (PubChem CID 174513037) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-ethenyl-2-[methoxy(phenyl)methyl]benzene.

Molecular Properties

Compound Name1-ethenyl-2-[methoxy(phenyl)methyl]benzene
PubChem CID174513037
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name1-ethenyl-2-[methoxy(phenyl)methyl]benzene
SMILESC=Cc1ccccc1C(OC)c1ccccc1
InChIInChI=1S/C16H16O/c1-3-13-9-7-8-12-15(13)16(17-2)14-10-5-4-6-11-14/h3-12,16H,1H2,2H3
InChIKeyGRYDPGJGYFYRBX-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 69207509
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(1S)-1-amino-1-(2-ethenylphenyl)propan-2-ol
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1-ethenyl-2-pentan-3-ylbenzene
CID 20542388
(1S,2R)-1-(2-methoxyphenyl)-2-phenylbut-3-en-1-ol
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1-methoxyprop-2-enylbenzene
CID 11029990
1-ethenyl-2-(1-fluorobutyl)benzene
CID 69254975
[ethenoxy(phenyl)methyl]benzene
CID 11401563
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CID 87162627
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CID 90917681

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-[methoxy(phenyl)methyl]benzene?
The IUPAC name of 1-ethenyl-2-[methoxy(phenyl)methyl]benzene (CID 174513037) is 1-ethenyl-2-[methoxy(phenyl)methyl]benzene.
What is the SMILES notation for 1-ethenyl-2-[methoxy(phenyl)methyl]benzene?
The canonical SMILES for 1-ethenyl-2-[methoxy(phenyl)methyl]benzene is C=Cc1ccccc1C(OC)c1ccccc1.
What is the InChIKey of 1-ethenyl-2-[methoxy(phenyl)methyl]benzene?
The InChIKey is GRYDPGJGYFYRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-3-13-9-7-8-12-15(13)16(17-2)14-10-5-4-6-11-14/h3-12,16H,1H2,2H3.
What are the key properties of 1-ethenyl-2-[methoxy(phenyl)methyl]benzene?
1-ethenyl-2-[methoxy(phenyl)methyl]benzene has a molecular weight of 224.30 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-[methoxy(phenyl)methyl]benzene is sourced from PubChem (CID 174513037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).