4-methoxyhexa-1,2-dien-3-ylbenzene

C13H16O — CID 174694094

IUPAC4-methoxyhexa-1,2-dien-3-ylbenzene
SMILESC=C=C(c1ccccc1)C(CC)OC
InChIInChI=1S/C13H16O/c1-4-12(13(5-2)14-3)11-9-7-6-8-10-11/h6-10,13H,1,5H2,2-3H3
InChIKeyCZLFUEVOJBFEIH-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.28
Rot. Bonds4

About 4-methoxyhexa-1,2-dien-3-ylbenzene

4-methoxyhexa-1,2-dien-3-ylbenzene (PubChem CID 174694094) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-methoxyhexa-1,2-dien-3-ylbenzene.

Molecular Properties

Compound Name4-methoxyhexa-1,2-dien-3-ylbenzene
PubChem CID174694094
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name4-methoxyhexa-1,2-dien-3-ylbenzene
SMILESC=C=C(c1ccccc1)C(CC)OC
InChIInChI=1S/C13H16O/c1-4-12(13(5-2)14-3)11-9-7-6-8-10-11/h6-10,13H,1,5H2,2-3H3
InChIKeyCZLFUEVOJBFEIH-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(Z)-3-fluoro-4-methoxyhex-2-en-2-yl]benzene
CID 166438480
diethyl 2-(3-phenylpenta-3,4-dien-2-yl)propanedioate
CID 12814273
3-hydroperoxypent-1-en-2-ylbenzene
CID 155931439
1,2-diphenylbuta-2,3-dien-1-ol
CID 10889496
1,1,1-trichloro-3-phenylpenta-3,4-dien-2-ol
CID 134993712
1-di(propan-2-yloxy)phosphoryl-N,N-diethyl-2-phenylbuta-2,3-dien-1-amine
CID 10893868
2,3-dimethoxy-1-phenylpropan-1-one
CID 90073170
2-[2-(2-methoxybutanoylamino)phenyl]acetic acid
CID 119353171
3-bromo-2-methoxy-1-phenylpropan-1-one
CID 14063307
1-phenylpropa-1,2-dienyl propanoate
CID 174457203
2-methoxy-1,4-diphenylbutane-1,4-dione
CID 11459858
2-methoxy-4-oxo-4-phenylbutanoic acid;vanadium
CID 157458679

Frequently Asked Questions

What is the IUPAC name of 4-methoxyhexa-1,2-dien-3-ylbenzene?
The IUPAC name of 4-methoxyhexa-1,2-dien-3-ylbenzene (CID 174694094) is 4-methoxyhexa-1,2-dien-3-ylbenzene.
What is the SMILES notation for 4-methoxyhexa-1,2-dien-3-ylbenzene?
The canonical SMILES for 4-methoxyhexa-1,2-dien-3-ylbenzene is C=C=C(c1ccccc1)C(CC)OC.
What is the InChIKey of 4-methoxyhexa-1,2-dien-3-ylbenzene?
The InChIKey is CZLFUEVOJBFEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-4-12(13(5-2)14-3)11-9-7-6-8-10-11/h6-10,13H,1,5H2,2-3H3.
What are the key properties of 4-methoxyhexa-1,2-dien-3-ylbenzene?
4-methoxyhexa-1,2-dien-3-ylbenzene has a molecular weight of 188.27 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyhexa-1,2-dien-3-ylbenzene is sourced from PubChem (CID 174694094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).