1-methyl-2-(3-phenoxyprop-1-enyl)benzene

C16H16O — CID 174574360

IUPAC1-methyl-2-(3-phenoxyprop-1-enyl)benzene
SMILESCc1ccccc1C=CCOc1ccccc1
InChIInChI=1S/C16H16O/c1-14-8-5-6-9-15(14)10-7-13-17-16-11-3-2-4-12-16/h2-12H,13H2,1H3
InChIKeyQAUOSSGLRZJDLI-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.09
Rot. Bonds4

About 1-methyl-2-(3-phenoxyprop-1-enyl)benzene

1-methyl-2-(3-phenoxyprop-1-enyl)benzene (PubChem CID 174574360) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-methyl-2-(3-phenoxyprop-1-enyl)benzene.

Molecular Properties

Compound Name1-methyl-2-(3-phenoxyprop-1-enyl)benzene
PubChem CID174574360
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name1-methyl-2-(3-phenoxyprop-1-enyl)benzene
SMILESCc1ccccc1C=CCOc1ccccc1
InChIInChI=1S/C16H16O/c1-14-8-5-6-9-15(14)10-7-13-17-16-11-3-2-4-12-16/h2-12H,13H2,1H3
InChIKeyQAUOSSGLRZJDLI-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-2-[(E)-3-phenoxyprop-1-enyl]benzene
CID 67215541
methyl 2-(3-phenoxyprop-1-enyl)benzoate
CID 67414986
but-2-enoxybenzene
CID 564963
1-methoxy-4-(3-phenoxyprop-1-enyl)benzene
CID 67215625
(Z)-4-(2-methylphenyl)but-3-enal
CID 117268062
(E)-N-methyl-4-phenoxybut-2-en-1-amine
CID 112547311
4-phenoxybut-2-en-1-amine
CID 68864521
ethane;1-methyl-2-[(E)-3-(2-methylphenyl)prop-1-enyl]benzene
CID 163273816
hexa-2,4-dienoxybenzene;titanium
CID 87665934
1-[(E)-hex-1-enyl]-2-methylbenzene
CID 143283238
(Z)-5-(2-methylphenyl)pent-4-enoic acid
CID 124649897
triethyl(3-phenoxyprop-1-enyl)silane
CID 23265308

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-phenoxyprop-1-enyl)benzene?
The IUPAC name of 1-methyl-2-(3-phenoxyprop-1-enyl)benzene (CID 174574360) is 1-methyl-2-(3-phenoxyprop-1-enyl)benzene.
What is the SMILES notation for 1-methyl-2-(3-phenoxyprop-1-enyl)benzene?
The canonical SMILES for 1-methyl-2-(3-phenoxyprop-1-enyl)benzene is Cc1ccccc1C=CCOc1ccccc1.
What is the InChIKey of 1-methyl-2-(3-phenoxyprop-1-enyl)benzene?
The InChIKey is QAUOSSGLRZJDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-14-8-5-6-9-15(14)10-7-13-17-16-11-3-2-4-12-16/h2-12H,13H2,1H3.
What are the key properties of 1-methyl-2-(3-phenoxyprop-1-enyl)benzene?
1-methyl-2-(3-phenoxyprop-1-enyl)benzene has a molecular weight of 224.30 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-phenoxyprop-1-enyl)benzene is sourced from PubChem (CID 174574360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).