1,3-dimethoxy-5-[(E)-2-phenylprop-1-enyl]-2-propylbenzene

C20H24O2 — CID 70001014

IUPAC1,3-dimethoxy-5-[(E)-2-phenylprop-1-enyl]-2-propylbenzene
SMILESCCCc1c(OC)cc(/C=C(\C)c2ccccc2)cc1OC
InChIInChI=1S/C20H24O2/c1-5-9-18-19(21-3)13-16(14-20(18)22-4)12-15(2)17-10-7-6-8-11-17/h6-8,10-14H,5,9H2,1-4H3/b15-12+
InChIKeySIZAPLBDSDKMPK-NTCAYCPXSA-N
MW296.41 g/mol
LogP5.22
Rot. Bonds6

About 1,3-dimethoxy-5-[(E)-2-phenylprop-1-enyl]-2-propylbenzene

1,3-dimethoxy-5-[(E)-2-phenylprop-1-enyl]-2-propylbenzene (PubChem CID 70001014) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1,3-dimethoxy-5-[(E)-2-phenylprop-1-enyl]-2-propylbenzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-[(E)-2-phenylprop-1-enyl]-2-propylbenzene
PubChem CID70001014
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name1,3-dimethoxy-5-[(E)-2-phenylprop-1-enyl]-2-propylbenzene
SMILESCCCc1c(OC)cc(/C=C(\C)c2ccccc2)cc1OC
InChIInChI=1S/C20H24O2/c1-5-9-18-19(21-3)13-16(14-20(18)22-4)12-15(2)17-10-7-6-8-11-17/h6-8,10-14H,5,9H2,1-4H3/b15-12+
InChIKeySIZAPLBDSDKMPK-NTCAYCPXSA-N
XLogP5.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-(3-methylbut-3-enyl)-5-(2-phenylprop-1-enyl)phenol
CID 154074924
2-methoxy-1-(2-phenylprop-1-enoxy)-4-propylbenzene
CID 167431142
1-(1-phenylprop-1-en-2-yl)-4-propylbenzene
CID 57256038
1,4-dimethoxy-2-methyl-5-[(E)-2-phenylprop-1-enyl]benzene
CID 10707027
4-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]-1-[2-[2-[4-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium
CID 89327878
1-[(1E)-2,3-dimethylbuta-1,3-dienyl]-3-methoxy-2-propylbenzene
CID 143922994
1,2,4-trimethoxy-5-(1-phenylprop-1-en-2-yl)benzene
CID 91348140
(2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone
CID 86122742
3-[3,5-di(nonoxy)-4-propylphenyl]-1-phenylprop-2-ene-1-thione
CID 54434109
3-[3,5-di(henicosoxy)-4-propylphenyl]-1-phenylprop-2-ene-1-thione
CID 54256646
3-(4-butyl-3,5-dimethoxyphenyl)prop-2-enoic acid
CID 141429039
3-methoxy-2-propylphenol
CID 10607156

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-[(E)-2-phenylprop-1-enyl]-2-propylbenzene?
The IUPAC name of 1,3-dimethoxy-5-[(E)-2-phenylprop-1-enyl]-2-propylbenzene (CID 70001014) is 1,3-dimethoxy-5-[(E)-2-phenylprop-1-enyl]-2-propylbenzene.
What is the SMILES notation for 1,3-dimethoxy-5-[(E)-2-phenylprop-1-enyl]-2-propylbenzene?
The canonical SMILES for 1,3-dimethoxy-5-[(E)-2-phenylprop-1-enyl]-2-propylbenzene is CCCc1c(OC)cc(/C=C(\C)c2ccccc2)cc1OC.
What is the InChIKey of 1,3-dimethoxy-5-[(E)-2-phenylprop-1-enyl]-2-propylbenzene?
The InChIKey is SIZAPLBDSDKMPK-NTCAYCPXSA-N. The full InChI is InChI=1S/C20H24O2/c1-5-9-18-19(21-3)13-16(14-20(18)22-4)12-15(2)17-10-7-6-8-11-17/h6-8,10-14H,5,9H2,1-4H3/b15-12+.
What are the key properties of 1,3-dimethoxy-5-[(E)-2-phenylprop-1-enyl]-2-propylbenzene?
1,3-dimethoxy-5-[(E)-2-phenylprop-1-enyl]-2-propylbenzene has a molecular weight of 296.41 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-[(E)-2-phenylprop-1-enyl]-2-propylbenzene is sourced from PubChem (CID 70001014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).