1-methoxyprop-2-enylbenzene

C10H12O — CID 11029990

IUPAC1-methoxyprop-2-enylbenzene
SMILESC=CC(OC)c1ccccc1
InChIInChI=1S/C10H12O/c1-3-10(11-2)9-7-5-4-6-8-9/h3-8,10H,1H2,2H3
InChIKeyBYSMCAVFTNJCJC-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.56
Rot. Bonds3

About 1-methoxyprop-2-enylbenzene

1-methoxyprop-2-enylbenzene (PubChem CID 11029990) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-methoxyprop-2-enylbenzene.

Molecular Properties

Compound Name1-methoxyprop-2-enylbenzene
PubChem CID11029990
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name1-methoxyprop-2-enylbenzene
SMILESC=CC(OC)c1ccccc1
InChIInChI=1S/C10H12O/c1-3-10(11-2)9-7-5-4-6-8-9/h3-8,10H,1H2,2H3
InChIKeyBYSMCAVFTNJCJC-UHFFFAOYSA-N
XLogP2.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.56
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

[4-(1-methoxyprop-2-enyl)phenyl]-phenylmethanone
CID 67434862
1-methoxy-4-(1-methoxyprop-2-enyl)benzene
CID 14594939
1-phenoxyprop-2-enylbenzene
CID 11735962
[(E,1S)-1-methoxybut-2-enyl]benzene
CID 129385395
1-ethenylperoxyprop-2-enylbenzene
CID 88766923
1-methoxy-3-(1-phenylprop-2-enoxy)benzene
CID 68585069
1-(1-methoxyprop-2-enyl)-4-(trifluoromethyl)benzene
CID 71422189
1-[1-[1-(1-phenylprop-2-enoxy)ethylsulfanyl]ethoxy]prop-2-enylbenzene
CID 19001747
[(E)-1-methoxy-3-phenylprop-2-enyl]benzene
CID 10353588
[(2E,4E)-1-methoxyhexa-2,4-dienyl]benzene
CID 164672506
methyl (2E)-2-(1-phenylprop-2-enoxyimino)acetate
CID 11195345
1,2-dimethoxy-4-[(1R)-1-methoxyprop-2-enyl]benzene
CID 162908621

Frequently Asked Questions

What is the IUPAC name of 1-methoxyprop-2-enylbenzene?
The IUPAC name of 1-methoxyprop-2-enylbenzene (CID 11029990) is 1-methoxyprop-2-enylbenzene.
What is the SMILES notation for 1-methoxyprop-2-enylbenzene?
The canonical SMILES for 1-methoxyprop-2-enylbenzene is C=CC(OC)c1ccccc1.
What is the InChIKey of 1-methoxyprop-2-enylbenzene?
The InChIKey is BYSMCAVFTNJCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-3-10(11-2)9-7-5-4-6-8-9/h3-8,10H,1H2,2H3.
What are the key properties of 1-methoxyprop-2-enylbenzene?
1-methoxyprop-2-enylbenzene has a molecular weight of 148.20 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyprop-2-enylbenzene is sourced from PubChem (CID 11029990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).