1-cyclopropyloxy-4-prop-2-enylbenzene

C12H14O — CID 114520509

IUPAC1-cyclopropyloxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OC2CC2)cc1
InChIInChI=1S/C12H14O/c1-2-3-10-4-6-11(7-5-10)13-12-8-9-12/h2,4-7,12H,1,3,8-9H2
InChIKeyUJRNROAQBNXIPL-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.96
Rot. Bonds4

About 1-cyclopropyloxy-4-prop-2-enylbenzene

1-cyclopropyloxy-4-prop-2-enylbenzene (PubChem CID 114520509) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-cyclopropyloxy-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-cyclopropyloxy-4-prop-2-enylbenzene
PubChem CID114520509
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-cyclopropyloxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OC2CC2)cc1
InChIInChI=1S/C12H14O/c1-2-3-10-4-6-11(7-5-10)13-12-8-9-12/h2,4-7,12H,1,3,8-9H2
InChIKeyUJRNROAQBNXIPL-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.96
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

Anethole
CID 637563
Estragole
CID 8815
4-Methylphenyl acetate
CID 8797
4-Methylanisole
CID 7731
1'-Acetoxychavicol Acetate
CID 119104
Cresyl glycidyl ether
CID 16606
p-tert-Butylphenyl glycidyl ether
CID 18360
3-Methoxytoluene
CID 7530
cis-Anethole
CID 1549040
4-Propylanisole
CID 7702
2-Methylanisole
CID 33637
Dihydrobenzofuran
CID 10329

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyloxy-4-prop-2-enylbenzene?
The IUPAC name of 1-cyclopropyloxy-4-prop-2-enylbenzene (CID 114520509) is 1-cyclopropyloxy-4-prop-2-enylbenzene.
What is the SMILES notation for 1-cyclopropyloxy-4-prop-2-enylbenzene?
The canonical SMILES for 1-cyclopropyloxy-4-prop-2-enylbenzene is C=CCc1ccc(OC2CC2)cc1.
What is the InChIKey of 1-cyclopropyloxy-4-prop-2-enylbenzene?
The InChIKey is UJRNROAQBNXIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-2-3-10-4-6-11(7-5-10)13-12-8-9-12/h2,4-7,12H,1,3,8-9H2.
What are the key properties of 1-cyclopropyloxy-4-prop-2-enylbenzene?
1-cyclopropyloxy-4-prop-2-enylbenzene has a molecular weight of 174.24 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyloxy-4-prop-2-enylbenzene is sourced from PubChem (CID 114520509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).