1-methoxy-4-prop-2-enylbenzene

C10H12O — CID 8815

IUPAC1-methoxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OC)cc1
InChIInChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
InChIKeyZFMSMUAANRJZFM-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.42
Rot. Bonds3

About 1-methoxy-4-prop-2-enylbenzene

1-methoxy-4-prop-2-enylbenzene (PubChem CID 8815) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-methoxy-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-methoxy-4-prop-2-enylbenzene
PubChem CID8815
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name1-methoxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OC)cc1
InChIInChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
InChIKeyZFMSMUAANRJZFM-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-prop-2-enylbenzene?
The IUPAC name of 1-methoxy-4-prop-2-enylbenzene (CID 8815) is 1-methoxy-4-prop-2-enylbenzene.
What is the SMILES notation for 1-methoxy-4-prop-2-enylbenzene?
The canonical SMILES for 1-methoxy-4-prop-2-enylbenzene is C=CCc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-prop-2-enylbenzene?
The InChIKey is ZFMSMUAANRJZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3.
What are the key properties of 1-methoxy-4-prop-2-enylbenzene?
1-methoxy-4-prop-2-enylbenzene has a molecular weight of 148.20 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-prop-2-enylbenzene is sourced from PubChem (CID 8815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).