1-hepta-1,6-dien-4-yl-4-methoxybenzene

C14H18O — CID 25697

IUPAC1-hepta-1,6-dien-4-yl-4-methoxybenzene
SMILESC=CCC(CC=C)c1ccc(OC)cc1
InChIInChI=1S/C14H18O/c1-4-6-12(7-5-2)13-8-10-14(15-3)11-9-13/h4-5,8-12H,1-2,6-7H2,3H3
InChIKeyNEWSKSPAXZDWQD-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.93
Rot. Bonds6

About 1-hepta-1,6-dien-4-yl-4-methoxybenzene

1-hepta-1,6-dien-4-yl-4-methoxybenzene (PubChem CID 25697) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-hepta-1,6-dien-4-yl-4-methoxybenzene.

Molecular Properties

Compound Name1-hepta-1,6-dien-4-yl-4-methoxybenzene
PubChem CID25697
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-hepta-1,6-dien-4-yl-4-methoxybenzene
SMILESC=CCC(CC=C)c1ccc(OC)cc1
InChIInChI=1S/C14H18O/c1-4-6-12(7-5-2)13-8-10-14(15-3)11-9-13/h4-5,8-12H,1-2,6-7H2,3H3
InChIKeyNEWSKSPAXZDWQD-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.93
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
Methyleugenol
CID 7127
Estragole
CID 8815
Methoxychlor
CID 4115
5-(4-methoxyphenyl)-3H-1,2-dithiole-3-thione
CID 2194
4-Methylanisole
CID 7731
2-Methoxynaphthalene
CID 7119
Methylisoeugenol
CID 637776
Anisylacetone
CID 61007
p-tert-Butylphenyl glycidyl ether
CID 18360
3-Methoxytoluene
CID 7530
Terameprocol
CID 476861

Frequently Asked Questions

What is the IUPAC name of 1-hepta-1,6-dien-4-yl-4-methoxybenzene?
The IUPAC name of 1-hepta-1,6-dien-4-yl-4-methoxybenzene (CID 25697) is 1-hepta-1,6-dien-4-yl-4-methoxybenzene.
What is the SMILES notation for 1-hepta-1,6-dien-4-yl-4-methoxybenzene?
The canonical SMILES for 1-hepta-1,6-dien-4-yl-4-methoxybenzene is C=CCC(CC=C)c1ccc(OC)cc1.
What is the InChIKey of 1-hepta-1,6-dien-4-yl-4-methoxybenzene?
The InChIKey is NEWSKSPAXZDWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-4-6-12(7-5-2)13-8-10-14(15-3)11-9-13/h4-5,8-12H,1-2,6-7H2,3H3.
What are the key properties of 1-hepta-1,6-dien-4-yl-4-methoxybenzene?
1-hepta-1,6-dien-4-yl-4-methoxybenzene has a molecular weight of 202.30 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hepta-1,6-dien-4-yl-4-methoxybenzene is sourced from PubChem (CID 25697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).