[(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene

C19H20O2 — CID 134286025

IUPAC[(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene
SMILESC=C(OCc1ccccc1)/C(=C\C)OCc1ccccc1
InChIInChI=1S/C19H20O2/c1-3-19(21-15-18-12-8-5-9-13-18)16(2)20-14-17-10-6-4-7-11-17/h3-13H,2,14-15H2,1H3/b19-3+
InChIKeyJKQYTTFPMYIQSM-QBROUFQSSA-N
MW280.37 g/mol
LogP4.84
Rot. Bonds7

About [(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene

[(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene (PubChem CID 134286025) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is [(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene.

Molecular Properties

Compound Name[(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene
PubChem CID134286025
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name[(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene
SMILESC=C(OCc1ccccc1)/C(=C\C)OCc1ccccc1
InChIInChI=1S/C19H20O2/c1-3-19(21-15-18-12-8-5-9-13-18)16(2)20-14-17-10-6-4-7-11-17/h3-13H,2,14-15H2,1H3/b19-3+
InChIKeyJKQYTTFPMYIQSM-QBROUFQSSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene 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

2-phenylmethoxyprop-2-enoic acid
CID 14954752
[(1E)-1-(2,2-dimethylpropylidene)-4,4-dimethyl-2-phenylmethoxypent-2-enoxy]methylbenzene
CID 160642303
4-methylpenta-1,3-dien-2-yloxymethylbenzene
CID 143601127
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
lithium 1-phenylmethoxyethenolate
CID 23696401
(Z)-2-phenylmethoxybut-2-enal
CID 155092165
1,1-diphenylethylbenzene;2-phenylmethoxyprop-2-enamide
CID 174883797
[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]oxymethylbenzene
CID 145085704
benzyl (E)-but-2-enoate
CID 5356259
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
benzyl N-(2-methylprop-2-enoyl)carbamate
CID 11321946
benzyl 2-(2-methoxyethoxy)prop-2-enoate
CID 141018088

Frequently Asked Questions

What is the IUPAC name of [(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene?
The IUPAC name of [(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene (CID 134286025) is [(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene.
What is the SMILES notation for [(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene?
The canonical SMILES for [(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene is C=C(OCc1ccccc1)/C(=C\C)OCc1ccccc1.
What is the InChIKey of [(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene?
The InChIKey is JKQYTTFPMYIQSM-QBROUFQSSA-N. The full InChI is InChI=1S/C19H20O2/c1-3-19(21-15-18-12-8-5-9-13-18)16(2)20-14-17-10-6-4-7-11-17/h3-13H,2,14-15H2,1H3/b19-3+.
What are the key properties of [(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene?
[(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene has a molecular weight of 280.37 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene is sourced from PubChem (CID 134286025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).