1,2,4-trimethoxy-5-(1-phenylprop-1-en-2-yl)benzene

C18H20O3 — CID 91348140

IUPAC1,2,4-trimethoxy-5-(1-phenylprop-1-en-2-yl)benzene
SMILESCOc1cc(OC)c(C(C)=Cc2ccccc2)cc1OC
InChIInChI=1S/C18H20O3/c1-13(10-14-8-6-5-7-9-14)15-11-17(20-3)18(21-4)12-16(15)19-2/h5-12H,1-4H3
InChIKeyOKQKOMFKIVSJMW-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.27
Rot. Bonds5

About 1,2,4-trimethoxy-5-(1-phenylprop-1-en-2-yl)benzene

1,2,4-trimethoxy-5-(1-phenylprop-1-en-2-yl)benzene (PubChem CID 91348140) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1,2,4-trimethoxy-5-(1-phenylprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1,2,4-trimethoxy-5-(1-phenylprop-1-en-2-yl)benzene
PubChem CID91348140
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1,2,4-trimethoxy-5-(1-phenylprop-1-en-2-yl)benzene
SMILESCOc1cc(OC)c(C(C)=Cc2ccccc2)cc1OC
InChIInChI=1S/C18H20O3/c1-13(10-14-8-6-5-7-9-14)15-11-17(20-3)18(21-4)12-16(15)19-2/h5-12H,1-4H3
InChIKeyOKQKOMFKIVSJMW-UHFFFAOYSA-N
XLogP4.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4,5-dimethoxy-2-[(E)-1-phenylprop-1-en-2-yl]phenyl]acetamide
CID 102225062
1-methyl-2-(1-phenylprop-1-en-2-yl)benzene
CID 606421
(Z)-3-(4-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 174914424
1-(1-phenylprop-1-en-2-yl)-2-propan-2-ylbenzene
CID 54101312
1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene
CID 15353455
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone
CID 15228893
1,2-dimethyl-3-[(E)-1-phenylprop-1-en-2-yl]benzene
CID 18968417
(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-en-1-amine
CID 119107695
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene
CID 15520037
1,3-dimethoxy-5-[(E)-2-phenylprop-1-enyl]-2-propylbenzene
CID 70001014
2-methyl-5-phenyl-3-[(Z)-1-phenylprop-1-en-2-yl]furan
CID 173398472

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethoxy-5-(1-phenylprop-1-en-2-yl)benzene?
The IUPAC name of 1,2,4-trimethoxy-5-(1-phenylprop-1-en-2-yl)benzene (CID 91348140) is 1,2,4-trimethoxy-5-(1-phenylprop-1-en-2-yl)benzene.
What is the SMILES notation for 1,2,4-trimethoxy-5-(1-phenylprop-1-en-2-yl)benzene?
The canonical SMILES for 1,2,4-trimethoxy-5-(1-phenylprop-1-en-2-yl)benzene is COc1cc(OC)c(C(C)=Cc2ccccc2)cc1OC.
What is the InChIKey of 1,2,4-trimethoxy-5-(1-phenylprop-1-en-2-yl)benzene?
The InChIKey is OKQKOMFKIVSJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-13(10-14-8-6-5-7-9-14)15-11-17(20-3)18(21-4)12-16(15)19-2/h5-12H,1-4H3.
What are the key properties of 1,2,4-trimethoxy-5-(1-phenylprop-1-en-2-yl)benzene?
1,2,4-trimethoxy-5-(1-phenylprop-1-en-2-yl)benzene has a molecular weight of 284.36 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethoxy-5-(1-phenylprop-1-en-2-yl)benzene is sourced from PubChem (CID 91348140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).