1,3-dimethoxy-5-[(E)-pent-1-enyl]-2-prop-2-enoxybenzene

C16H22O3 — CID 102439840

IUPAC1,3-dimethoxy-5-[(E)-pent-1-enyl]-2-prop-2-enoxybenzene
SMILESC=CCOc1c(OC)cc(/C=C/CCC)cc1OC
InChIInChI=1S/C16H22O3/c1-5-7-8-9-13-11-14(17-3)16(19-10-6-2)15(12-13)18-4/h6,8-9,11-12H,2,5,7,10H2,1,3-4H3/b9-8+
InChIKeyFNJPPXLVACQUSR-CMDGGOBGSA-N
MW262.35 g/mol
LogP4.08
Rot. Bonds8

About 1,3-dimethoxy-5-[(E)-pent-1-enyl]-2-prop-2-enoxybenzene

1,3-dimethoxy-5-[(E)-pent-1-enyl]-2-prop-2-enoxybenzene (PubChem CID 102439840) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1,3-dimethoxy-5-[(E)-pent-1-enyl]-2-prop-2-enoxybenzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-[(E)-pent-1-enyl]-2-prop-2-enoxybenzene
PubChem CID102439840
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1,3-dimethoxy-5-[(E)-pent-1-enyl]-2-prop-2-enoxybenzene
SMILESC=CCOc1c(OC)cc(/C=C/CCC)cc1OC
InChIInChI=1S/C16H22O3/c1-5-7-8-9-13-11-14(17-3)16(19-10-6-2)15(12-13)18-4/h6,8-9,11-12H,2,5,7,10H2,1,3-4H3/b9-8+
InChIKeyFNJPPXLVACQUSR-CMDGGOBGSA-N
XLogP4.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-dimethoxy-5-[(E)-pent-1-enyl]-2-prop-2-enoxybenzene 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

1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene
CID 12892889
(E)-3-[4-[(E)-3-chloroprop-2-enoxy]-3,5-dimethoxyphenyl]prop-2-enoic acid
CID 43516853
3-(4-but-3-enoxy-3,5-dimethoxyphenyl)prop-2-enoic acid
CID 77034144
3-[3,5-dimethoxy-4-(3-methylbut-2-enoxy)phenyl]prop-2-en-1-ol
CID 85214400
N-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine
CID 60888312
(E)-6-(4-hexoxy-3,5-dimethoxyphenyl)hex-5-enoic acid
CID 10360531
5-[(Z)-5-bromopent-1-enyl]-1,2,3-trimethoxybenzene
CID 67644714
(E)-3-(3,4-dimethoxy-5-prop-2-enylphenyl)prop-2-en-1-ol
CID 44610392
4,6,11,13,18,20,25,27-octamethoxy-5,12,19,26-tetrakis(prop-2-enoxy)pentacyclo[22.4.0.03,8.010,15.017,22]octacosa-1(28),3,5,7,10,12,14,17,19,21,24,26-dodecaene
CID 71734980
prop-2-enyl 3,5-dimethoxy-4-prop-2-enoxybenzoate
CID 53231025
1-methoxy-2,3-bis(prop-2-enoxy)benzene
CID 11160335
(NZ)-N-[(3-methoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine
CID 126079797

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-[(E)-pent-1-enyl]-2-prop-2-enoxybenzene?
The IUPAC name of 1,3-dimethoxy-5-[(E)-pent-1-enyl]-2-prop-2-enoxybenzene (CID 102439840) is 1,3-dimethoxy-5-[(E)-pent-1-enyl]-2-prop-2-enoxybenzene.
What is the SMILES notation for 1,3-dimethoxy-5-[(E)-pent-1-enyl]-2-prop-2-enoxybenzene?
The canonical SMILES for 1,3-dimethoxy-5-[(E)-pent-1-enyl]-2-prop-2-enoxybenzene is C=CCOc1c(OC)cc(/C=C/CCC)cc1OC.
What is the InChIKey of 1,3-dimethoxy-5-[(E)-pent-1-enyl]-2-prop-2-enoxybenzene?
The InChIKey is FNJPPXLVACQUSR-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H22O3/c1-5-7-8-9-13-11-14(17-3)16(19-10-6-2)15(12-13)18-4/h6,8-9,11-12H,2,5,7,10H2,1,3-4H3/b9-8+.
What are the key properties of 1,3-dimethoxy-5-[(E)-pent-1-enyl]-2-prop-2-enoxybenzene?
1,3-dimethoxy-5-[(E)-pent-1-enyl]-2-prop-2-enoxybenzene has a molecular weight of 262.35 g/mol, XLogP of 4.08, 8 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)-pent-1-enyl]-2-prop-2-enoxybenzene is sourced from PubChem (CID 102439840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).