4-[(E)-2-cyclopropylprop-1-enyl]-2-methoxy-1-methylbenzene

C14H18O — CID 166389463

IUPAC4-[(E)-2-cyclopropylprop-1-enyl]-2-methoxy-1-methylbenzene
SMILESCOc1cc(/C=C(\C)C2CC2)ccc1C
InChIInChI=1S/C14H18O/c1-10-4-5-12(9-14(10)15-3)8-11(2)13-6-7-13/h4-5,8-9,13H,6-7H2,1-3H3/b11-8+
InChIKeyZEYAEMBKNABUPR-DHZHZOJOSA-N
MW202.30 g/mol
LogP3.82
Rot. Bonds3

About 4-[(E)-2-cyclopropylprop-1-enyl]-2-methoxy-1-methylbenzene

4-[(E)-2-cyclopropylprop-1-enyl]-2-methoxy-1-methylbenzene (PubChem CID 166389463) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-[(E)-2-cyclopropylprop-1-enyl]-2-methoxy-1-methylbenzene.

Molecular Properties

Compound Name4-[(E)-2-cyclopropylprop-1-enyl]-2-methoxy-1-methylbenzene
PubChem CID166389463
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name4-[(E)-2-cyclopropylprop-1-enyl]-2-methoxy-1-methylbenzene
SMILESCOc1cc(/C=C(\C)C2CC2)ccc1C
InChIInChI=1S/C14H18O/c1-10-4-5-12(9-14(10)15-3)8-11(2)13-6-7-13/h4-5,8-9,13H,6-7H2,1-3H3/b11-8+
InChIKeyZEYAEMBKNABUPR-DHZHZOJOSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-cyclopropylprop-1-enyl]-2-methoxy-1-methylbenzene?
The IUPAC name of 4-[(E)-2-cyclopropylprop-1-enyl]-2-methoxy-1-methylbenzene (CID 166389463) is 4-[(E)-2-cyclopropylprop-1-enyl]-2-methoxy-1-methylbenzene.
What is the SMILES notation for 4-[(E)-2-cyclopropylprop-1-enyl]-2-methoxy-1-methylbenzene?
The canonical SMILES for 4-[(E)-2-cyclopropylprop-1-enyl]-2-methoxy-1-methylbenzene is COc1cc(/C=C(\C)C2CC2)ccc1C.
What is the InChIKey of 4-[(E)-2-cyclopropylprop-1-enyl]-2-methoxy-1-methylbenzene?
The InChIKey is ZEYAEMBKNABUPR-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H18O/c1-10-4-5-12(9-14(10)15-3)8-11(2)13-6-7-13/h4-5,8-9,13H,6-7H2,1-3H3/b11-8+.
What are the key properties of 4-[(E)-2-cyclopropylprop-1-enyl]-2-methoxy-1-methylbenzene?
4-[(E)-2-cyclopropylprop-1-enyl]-2-methoxy-1-methylbenzene has a molecular weight of 202.30 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-cyclopropylprop-1-enyl]-2-methoxy-1-methylbenzene is sourced from PubChem (CID 166389463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).