[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]benzene

C13H16O — CID 144607664

IUPAC[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]benzene
SMILESC=C(C)/C(=C(\C)OC)c1ccccc1
InChIInChI=1S/C13H16O/c1-10(2)13(11(3)14-4)12-8-6-5-7-9-12/h5-9H,1H2,2-4H3/b13-11-
InChIKeyRFBUKJBRGVTCGH-QBFSEMIESA-N
MW188.27 g/mol
LogP3.64
Rot. Bonds3

About [(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]benzene

[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]benzene (PubChem CID 144607664) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is [(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]benzene.

Molecular Properties

Compound Name[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]benzene
PubChem CID144607664
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]benzene
SMILESC=C(C)/C(=C(\C)OC)c1ccccc1
InChIInChI=1S/C13H16O/c1-10(2)13(11(3)14-4)12-8-6-5-7-9-12/h5-9H,1H2,2-4H3/b13-11-
InChIKeyRFBUKJBRGVTCGH-QBFSEMIESA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;methoxymethane;prop-1-en-2-ylbenzene
CID 160714954
benzoic acid;bis(methyl 2-methylprop-2-enoate)
CID 91475407
methyl prop-2-enoate;prop-1-en-2-ylbenzene
CID 18185793
1-benzyl-6-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-2-methylbenzimidazol-4-amine
CID 167223926
[(2Z,4Z)-2-methoxyhepta-2,4,6-trien-3-yl]benzene
CID 89247777
prop-1-en-2-ylbenzene;silane
CID 174724970
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
dimethyl benzene-1,3-dicarboxylate;2-methylprop-2-enoic acid
CID 175103559
dilithium;hydride;tetrakis(prop-1-en-2-ylbenzene)
CID 173210084
benzoyl benzoate;2-methylprop-2-enoic acid
CID 87155251
3-methoxy-2,3-diphenylprop-2-enoic acid
CID 69030930
bis(diphenylmethanone);2-methylprop-2-enoic acid
CID 175044660

Frequently Asked Questions

What is the IUPAC name of [(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]benzene?
The IUPAC name of [(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]benzene (CID 144607664) is [(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]benzene.
What is the SMILES notation for [(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]benzene?
The canonical SMILES for [(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]benzene is C=C(C)/C(=C(\C)OC)c1ccccc1.
What is the InChIKey of [(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]benzene?
The InChIKey is RFBUKJBRGVTCGH-QBFSEMIESA-N. The full InChI is InChI=1S/C13H16O/c1-10(2)13(11(3)14-4)12-8-6-5-7-9-12/h5-9H,1H2,2-4H3/b13-11-.
What are the key properties of [(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]benzene?
[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]benzene has a molecular weight of 188.27 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]benzene is sourced from PubChem (CID 144607664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).