1-[(1E)-1-cyclopropylbuta-1,3-dienyl]-4-methoxybenzene

C14H16O — CID 102264741

IUPAC1-[(1E)-1-cyclopropylbuta-1,3-dienyl]-4-methoxybenzene
SMILESC=C/C=C(/c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C14H16O/c1-3-4-14(11-5-6-11)12-7-9-13(15-2)10-8-12/h3-4,7-11H,1,5-6H2,2H3/b14-4+
InChIKeyBACLHKFVGOHCPM-LNKIKWGQSA-N
MW200.28 g/mol
LogP3.67
Rot. Bonds4

About 1-[(1E)-1-cyclopropylbuta-1,3-dienyl]-4-methoxybenzene

1-[(1E)-1-cyclopropylbuta-1,3-dienyl]-4-methoxybenzene (PubChem CID 102264741) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[(1E)-1-cyclopropylbuta-1,3-dienyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(1E)-1-cyclopropylbuta-1,3-dienyl]-4-methoxybenzene
PubChem CID102264741
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name1-[(1E)-1-cyclopropylbuta-1,3-dienyl]-4-methoxybenzene
SMILESC=C/C=C(/c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C14H16O/c1-3-4-14(11-5-6-11)12-7-9-13(15-2)10-8-12/h3-4,7-11H,1,5-6H2,2H3/b14-4+
InChIKeyBACLHKFVGOHCPM-LNKIKWGQSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(1E)-1-cyclopropylbuta-1,3-dienyl]-4-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-cyclohexylethenyl)-4-methoxybenzene
CID 122206167
1,4-bis[2-cyclohexyl-2-(4-methoxyphenyl)ethenyl]-2,5-dimethylbenzene
CID 54529441
CID 166129497
CID 166129497
1-[(1Z,3Z)-1,4-dichloro-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene
CID 44604980
1-methoxy-4-pent-2-en-3-ylbenzene
CID 85440848
N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 94261270
CID 12714057
CID 12714057
1-(1-cyclohexylideneprop-2-enyl)-4-methoxybenzene
CID 11096381
(4-methoxybenzoyl)-λ2-stannane
CID 174742034
actinium;1-(4-methoxyphenyl)ethenol
CID 22892785
[1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 174249291
ethane;(1E)-1-(4-methoxy-2-methylphenyl)buta-1,3-dien-1-ol
CID 142019265

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-1-cyclopropylbuta-1,3-dienyl]-4-methoxybenzene?
The IUPAC name of 1-[(1E)-1-cyclopropylbuta-1,3-dienyl]-4-methoxybenzene (CID 102264741) is 1-[(1E)-1-cyclopropylbuta-1,3-dienyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(1E)-1-cyclopropylbuta-1,3-dienyl]-4-methoxybenzene?
The canonical SMILES for 1-[(1E)-1-cyclopropylbuta-1,3-dienyl]-4-methoxybenzene is C=C/C=C(/c1ccc(OC)cc1)C1CC1.
What is the InChIKey of 1-[(1E)-1-cyclopropylbuta-1,3-dienyl]-4-methoxybenzene?
The InChIKey is BACLHKFVGOHCPM-LNKIKWGQSA-N. The full InChI is InChI=1S/C14H16O/c1-3-4-14(11-5-6-11)12-7-9-13(15-2)10-8-12/h3-4,7-11H,1,5-6H2,2H3/b14-4+.
What are the key properties of 1-[(1E)-1-cyclopropylbuta-1,3-dienyl]-4-methoxybenzene?
1-[(1E)-1-cyclopropylbuta-1,3-dienyl]-4-methoxybenzene has a molecular weight of 200.28 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-1-cyclopropylbuta-1,3-dienyl]-4-methoxybenzene is sourced from PubChem (CID 102264741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).