[(E)-4-methoxypent-2-en-2-yl]benzene

C12H16O — CID 5373737

IUPAC[(E)-4-methoxypent-2-en-2-yl]benzene
SMILESCOC(C)/C=C(\C)c1ccccc1
InChIInChI=1S/C12H16O/c1-10(9-11(2)13-3)12-7-5-4-6-8-12/h4-9,11H,1-3H3/b10-9+
InChIKeyHTAMOWXNBZXANP-MDZDMXLPSA-N
MW176.26 g/mol
LogP3.12
Rot. Bonds3

About [(E)-4-methoxypent-2-en-2-yl]benzene

[(E)-4-methoxypent-2-en-2-yl]benzene (PubChem CID 5373737) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is [(E)-4-methoxypent-2-en-2-yl]benzene.

Molecular Properties

Compound Name[(E)-4-methoxypent-2-en-2-yl]benzene
PubChem CID5373737
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name[(E)-4-methoxypent-2-en-2-yl]benzene
SMILESCOC(C)/C=C(\C)c1ccccc1
InChIInChI=1S/C12H16O/c1-10(9-11(2)13-3)12-7-5-4-6-8-12/h4-9,11H,1-3H3/b10-9+
InChIKeyHTAMOWXNBZXANP-MDZDMXLPSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cinnamyl Acetate
CID 5282110
4-Phenylbut-3-en-2-ol
CID 15172
(3Z)-4-Phenyl-3-buten-2-ol
CID 11469151
4-Phenyl-3-buten-2-ol, (3E)-
CID 5369489
Benzene, (1-ethoxyethyl)-
CID 18693
(3,3-Diethoxy-1-propen-1-yl)benzene
CID 5356250
Cinnamaldehyde dimethyl acetal
CID 5463228
Ethyl styryl ether
CID 5383414
Benzene, [2-(1-methylethoxy)ethyl]-
CID 106442
Benzene, (2-methoxyethenyl)-
CID 5368493
Cinnamyl acetate, (Z)-
CID 5315912
3-Phenyl-2-propen-1-yl acetate
CID 7660

Frequently Asked Questions

What is the IUPAC name of [(E)-4-methoxypent-2-en-2-yl]benzene?
The IUPAC name of [(E)-4-methoxypent-2-en-2-yl]benzene (CID 5373737) is [(E)-4-methoxypent-2-en-2-yl]benzene.
What is the SMILES notation for [(E)-4-methoxypent-2-en-2-yl]benzene?
The canonical SMILES for [(E)-4-methoxypent-2-en-2-yl]benzene is COC(C)/C=C(\C)c1ccccc1.
What is the InChIKey of [(E)-4-methoxypent-2-en-2-yl]benzene?
The InChIKey is HTAMOWXNBZXANP-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H16O/c1-10(9-11(2)13-3)12-7-5-4-6-8-12/h4-9,11H,1-3H3/b10-9+.
What are the key properties of [(E)-4-methoxypent-2-en-2-yl]benzene?
[(E)-4-methoxypent-2-en-2-yl]benzene has a molecular weight of 176.26 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-methoxypent-2-en-2-yl]benzene is sourced from PubChem (CID 5373737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).