2-[(3Z)-hepta-1,3-dien-4-yl]-4-methoxy-1-methylbenzene

C15H20O — CID 89339234

IUPAC2-[(3Z)-hepta-1,3-dien-4-yl]-4-methoxy-1-methylbenzene
SMILESC=C/C=C(/CCC)c1cc(OC)ccc1C
InChIInChI=1S/C15H20O/c1-5-7-13(8-6-2)15-11-14(16-4)10-9-12(15)3/h5,7,9-11H,1,6,8H2,2-4H3/b13-7-
InChIKeyHVDZZZHVYXLDJD-QPEQYQDCSA-N
MW216.32 g/mol
LogP4.37
Rot. Bonds5

About 2-[(3Z)-hepta-1,3-dien-4-yl]-4-methoxy-1-methylbenzene

2-[(3Z)-hepta-1,3-dien-4-yl]-4-methoxy-1-methylbenzene (PubChem CID 89339234) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-[(3Z)-hepta-1,3-dien-4-yl]-4-methoxy-1-methylbenzene.

Molecular Properties

Compound Name2-[(3Z)-hepta-1,3-dien-4-yl]-4-methoxy-1-methylbenzene
PubChem CID89339234
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2-[(3Z)-hepta-1,3-dien-4-yl]-4-methoxy-1-methylbenzene
SMILESC=C/C=C(/CCC)c1cc(OC)ccc1C
InChIInChI=1S/C15H20O/c1-5-7-13(8-6-2)15-11-14(16-4)10-9-12(15)3/h5,7,9-11H,1,6,8H2,2-4H3/b13-7-
InChIKeyHVDZZZHVYXLDJD-QPEQYQDCSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(3Z)-hepta-1,3-dien-4-yl]-4-methoxy-1-methylbenzene 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

ethane;(1E)-1-(4-methoxy-2-methylphenyl)buta-1,3-dien-1-ol
CID 142019265
1-[(1E)-1-(4-ethoxyphenyl)buta-1,3-dienyl]-4-methoxy-2-methylbenzene
CID 88650396
3-bromo-1-(5-methoxy-2-methylphenyl)propan-1-one
CID 135743351
1-butan-2-yl-2-[(2Z)-1-cyclopropylpenta-2,4-dien-2-yl]-4-methoxybenzene
CID 145028518
(E)-4-(2,5-dimethoxyphenyl)hept-3-enoic acid
CID 83958691
4-methoxy-2-[(E)-1-(4-methoxyphenyl)pent-1-en-2-yl]-1-methylsulfanylbenzene
CID 19370413
2-methoxy-1-(5-methoxy-2-methylphenyl)ethanone
CID 19880580
(E)-3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)hex-2-en-1-one
CID 10248342
(E)-3-(2-ethyl-4-methoxyphenyl)hex-2-enoic acid
CID 83959086
ethane;1-[(3E)-hepta-1,3-dien-4-yl]oxy-4-methylbenzene
CID 144511100
4-methoxy-1-methyl-2-[(1E)-3-methyl-1-(2-methylprop-2-enoxy)buta-1,3-dienyl]benzene
CID 145208159
O-[(1E)-1-(5-methoxy-2-methylphenyl)-3-methylbuta-1,3-dienyl]hydroxylamine
CID 145208168

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-hepta-1,3-dien-4-yl]-4-methoxy-1-methylbenzene?
The IUPAC name of 2-[(3Z)-hepta-1,3-dien-4-yl]-4-methoxy-1-methylbenzene (CID 89339234) is 2-[(3Z)-hepta-1,3-dien-4-yl]-4-methoxy-1-methylbenzene.
What is the SMILES notation for 2-[(3Z)-hepta-1,3-dien-4-yl]-4-methoxy-1-methylbenzene?
The canonical SMILES for 2-[(3Z)-hepta-1,3-dien-4-yl]-4-methoxy-1-methylbenzene is C=C/C=C(/CCC)c1cc(OC)ccc1C.
What is the InChIKey of 2-[(3Z)-hepta-1,3-dien-4-yl]-4-methoxy-1-methylbenzene?
The InChIKey is HVDZZZHVYXLDJD-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H20O/c1-5-7-13(8-6-2)15-11-14(16-4)10-9-12(15)3/h5,7,9-11H,1,6,8H2,2-4H3/b13-7-.
What are the key properties of 2-[(3Z)-hepta-1,3-dien-4-yl]-4-methoxy-1-methylbenzene?
2-[(3Z)-hepta-1,3-dien-4-yl]-4-methoxy-1-methylbenzene has a molecular weight of 216.32 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-hepta-1,3-dien-4-yl]-4-methoxy-1-methylbenzene is sourced from PubChem (CID 89339234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).