1-[[(Z)-3-cyclopent-2-en-1-yl-6-[(4-methoxyphenyl)methoxy]hex-3-enoxy]methyl]-4-methoxybenzene

C27H34O4 — CID 177407147

IUPAC1-[[(Z)-3-cyclopent-2-en-1-yl-6-[(4-methoxyphenyl)methoxy]hex-3-enoxy]methyl]-4-methoxybenzene
SMILESCOc1ccc(COCC/C=C(/CCOCc2ccc(OC)cc2)C2C=CCC2)cc1
InChIInChI=1S/C27H34O4/c1-28-26-13-9-22(10-14-26)20-30-18-5-8-25(24-6-3-4-7-24)17-19-31-21-23-11-15-27(29-2)16-12-23/h3,6,8-16,24H,4-5,7,17-21H2,1-2H3/b25-8-
InChIKeyBULQZZCPXIQASH-JAHAZDFLSA-N
MW422.57 g/mol
LogP6.11
Rot. Bonds13

About 1-[[(Z)-3-cyclopent-2-en-1-yl-6-[(4-methoxyphenyl)methoxy]hex-3-enoxy]methyl]-4-methoxybenzene

1-[[(Z)-3-cyclopent-2-en-1-yl-6-[(4-methoxyphenyl)methoxy]hex-3-enoxy]methyl]-4-methoxybenzene (PubChem CID 177407147) has the molecular formula C27H34O4 and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-[[(Z)-3-cyclopent-2-en-1-yl-6-[(4-methoxyphenyl)methoxy]hex-3-enoxy]methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[[(Z)-3-cyclopent-2-en-1-yl-6-[(4-methoxyphenyl)methoxy]hex-3-enoxy]methyl]-4-methoxybenzene
PubChem CID177407147
Molecular FormulaC27H34O4
Molecular Weight422.57 g/mol
Exact Mass422.25
IUPAC Name1-[[(Z)-3-cyclopent-2-en-1-yl-6-[(4-methoxyphenyl)methoxy]hex-3-enoxy]methyl]-4-methoxybenzene
SMILESCOc1ccc(COCC/C=C(/CCOCc2ccc(OC)cc2)C2C=CCC2)cc1
InChIInChI=1S/C27H34O4/c1-28-26-13-9-22(10-14-26)20-30-18-5-8-25(24-6-3-4-7-24)17-19-31-21-23-11-15-27(29-2)16-12-23/h3,6,8-16,24H,4-5,7,17-21H2,1-2H3/b25-8-
InChIKeyBULQZZCPXIQASH-JAHAZDFLSA-N
XLogP6.11
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[(Z)-3-cyclopent-2-en-1-yl-6-[(4-methoxyphenyl)methoxy]hex-3-enoxy]methyl]-4-methoxybenzene 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-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]hepta-3,6-dienoxy]methyl]benzene
CID 101454626
1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylhepta-3,6-dienoxy]methyl]benzene
CID 101454627
(3E,5Z)-8-[(4-methoxyphenyl)methoxy]-5-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylocta-3,5-dien-1-ol
CID 101399709
14-[(4-methoxyphenyl)methoxy]tetradecanal
CID 25186279
1-methoxy-4-[[(3E,6E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-7-phenylhepta-3,6-dienoxy]methyl]benzene
CID 101454631
(E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one
CID 10752160
N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine
CID 62598717
2-[(1E,3E)-6-[(4-methoxyphenyl)methoxy]-3-methylhexa-1,3-dienyl]-2,3-dihydropyran-6-one
CID 134832150
(3R)-6-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 24864257
(3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine
CID 71480450
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
5-[(4-methoxyphenyl)methoxy]pentanehydrazide
CID 63575038

Frequently Asked Questions

What is the IUPAC name of 1-[[(Z)-3-cyclopent-2-en-1-yl-6-[(4-methoxyphenyl)methoxy]hex-3-enoxy]methyl]-4-methoxybenzene?
The IUPAC name of 1-[[(Z)-3-cyclopent-2-en-1-yl-6-[(4-methoxyphenyl)methoxy]hex-3-enoxy]methyl]-4-methoxybenzene (CID 177407147) is 1-[[(Z)-3-cyclopent-2-en-1-yl-6-[(4-methoxyphenyl)methoxy]hex-3-enoxy]methyl]-4-methoxybenzene.
What is the SMILES notation for 1-[[(Z)-3-cyclopent-2-en-1-yl-6-[(4-methoxyphenyl)methoxy]hex-3-enoxy]methyl]-4-methoxybenzene?
The canonical SMILES for 1-[[(Z)-3-cyclopent-2-en-1-yl-6-[(4-methoxyphenyl)methoxy]hex-3-enoxy]methyl]-4-methoxybenzene is COc1ccc(COCC/C=C(/CCOCc2ccc(OC)cc2)C2C=CCC2)cc1.
What is the InChIKey of 1-[[(Z)-3-cyclopent-2-en-1-yl-6-[(4-methoxyphenyl)methoxy]hex-3-enoxy]methyl]-4-methoxybenzene?
The InChIKey is BULQZZCPXIQASH-JAHAZDFLSA-N. The full InChI is InChI=1S/C27H34O4/c1-28-26-13-9-22(10-14-26)20-30-18-5-8-25(24-6-3-4-7-24)17-19-31-21-23-11-15-27(29-2)16-12-23/h3,6,8-16,24H,4-5,7,17-21H2,1-2H3/b25-8-.
What are the key properties of 1-[[(Z)-3-cyclopent-2-en-1-yl-6-[(4-methoxyphenyl)methoxy]hex-3-enoxy]methyl]-4-methoxybenzene?
1-[[(Z)-3-cyclopent-2-en-1-yl-6-[(4-methoxyphenyl)methoxy]hex-3-enoxy]methyl]-4-methoxybenzene has a molecular weight of 422.57 g/mol, XLogP of 6.11, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z)-3-cyclopent-2-en-1-yl-6-[(4-methoxyphenyl)methoxy]hex-3-enoxy]methyl]-4-methoxybenzene is sourced from PubChem (CID 177407147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).