1,3-dimethoxy-5-[(E,2R)-2-(4-methoxyphenyl)pent-3-enyl]benzene

C20H24O3 — CID 102164440

IUPAC1,3-dimethoxy-5-[(E,2R)-2-(4-methoxyphenyl)pent-3-enyl]benzene
SMILESC/C=C/[C@@H](Cc1cc(OC)cc(OC)c1)c1ccc(OC)cc1
InChIInChI=1S/C20H24O3/c1-5-6-17(16-7-9-18(21-2)10-8-16)11-15-12-19(22-3)14-20(13-15)23-4/h5-10,12-14,17H,11H2,1-4H3/b6-5+/t17-/m0/s1
InChIKeyQJDCIUMQSHJLSQ-RTRPANQVSA-N
MW312.41 g/mol
LogP4.61
Rot. Bonds7

About 1,3-dimethoxy-5-[(E,2R)-2-(4-methoxyphenyl)pent-3-enyl]benzene

1,3-dimethoxy-5-[(E,2R)-2-(4-methoxyphenyl)pent-3-enyl]benzene (PubChem CID 102164440) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1,3-dimethoxy-5-[(E,2R)-2-(4-methoxyphenyl)pent-3-enyl]benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-[(E,2R)-2-(4-methoxyphenyl)pent-3-enyl]benzene
PubChem CID102164440
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name1,3-dimethoxy-5-[(E,2R)-2-(4-methoxyphenyl)pent-3-enyl]benzene
SMILESC/C=C/[C@@H](Cc1cc(OC)cc(OC)c1)c1ccc(OC)cc1
InChIInChI=1S/C20H24O3/c1-5-6-17(16-7-9-18(21-2)10-8-16)11-15-12-19(22-3)14-20(13-15)23-4/h5-10,12-14,17H,11H2,1-4H3/b6-5+/t17-/m0/s1
InChIKeyQJDCIUMQSHJLSQ-RTRPANQVSA-N
XLogP4.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[(E,3S)-4-phenyl-3-(4-propan-2-ylphenyl)but-1-enyl]benzene
CID 162401202
2-amino-3-(3,5-dimethoxyphenyl)propan-1-ol
CID 21398979
1-methoxy-4-[(2R)-2-[4-(trifluoromethyl)phenyl]but-3-enyl]benzene
CID 154713677
1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene
CID 71377965
1-methoxy-4-[(E)-4-[(E)-prop-1-enyl]hept-5-enyl]benzene
CID 167114293
1,3-bis(4-methoxyphenyl)propane-1,2-dithiol
CID 159169861
1-[chloro-(4-methoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431171
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
1-(4-bromo-3-methylbutan-2-yl)-4-methoxybenzene
CID 83932073
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
1-[3-[3-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene
CID 68531173
1-(4-methoxyphenyl)-2-(3-methylphenyl)ethanol
CID 60798818

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-[(E,2R)-2-(4-methoxyphenyl)pent-3-enyl]benzene?
The IUPAC name of 1,3-dimethoxy-5-[(E,2R)-2-(4-methoxyphenyl)pent-3-enyl]benzene (CID 102164440) is 1,3-dimethoxy-5-[(E,2R)-2-(4-methoxyphenyl)pent-3-enyl]benzene.
What is the SMILES notation for 1,3-dimethoxy-5-[(E,2R)-2-(4-methoxyphenyl)pent-3-enyl]benzene?
The canonical SMILES for 1,3-dimethoxy-5-[(E,2R)-2-(4-methoxyphenyl)pent-3-enyl]benzene is C/C=C/[C@@H](Cc1cc(OC)cc(OC)c1)c1ccc(OC)cc1.
What is the InChIKey of 1,3-dimethoxy-5-[(E,2R)-2-(4-methoxyphenyl)pent-3-enyl]benzene?
The InChIKey is QJDCIUMQSHJLSQ-RTRPANQVSA-N. The full InChI is InChI=1S/C20H24O3/c1-5-6-17(16-7-9-18(21-2)10-8-16)11-15-12-19(22-3)14-20(13-15)23-4/h5-10,12-14,17H,11H2,1-4H3/b6-5+/t17-/m0/s1.
What are the key properties of 1,3-dimethoxy-5-[(E,2R)-2-(4-methoxyphenyl)pent-3-enyl]benzene?
1,3-dimethoxy-5-[(E,2R)-2-(4-methoxyphenyl)pent-3-enyl]benzene has a molecular weight of 312.41 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-[(E,2R)-2-(4-methoxyphenyl)pent-3-enyl]benzene is sourced from PubChem (CID 102164440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).