2-methoxy-4-[(Z)-4-(3-methoxy-4-prop-2-ynoxyphenyl)but-2-enyl]-1-prop-2-ynoxybenzene

C24H24O4 — CID 155770275

IUPAC2-methoxy-4-[(Z)-4-(3-methoxy-4-prop-2-ynoxyphenyl)but-2-enyl]-1-prop-2-ynoxybenzene
SMILESC#CCOc1ccc(C/C=C\Cc2ccc(OCC#C)c(OC)c2)cc1OC
InChIInChI=1S/C24H24O4/c1-5-15-27-21-13-11-19(17-23(21)25-3)9-7-8-10-20-12-14-22(28-16-6-2)24(18-20)26-4/h1-2,7-8,11-14,17-18H,9-10,15-16H2,3-4H3/b8-7-
InChIKeyWCCWAZGNSWHEBM-FPLPWBNLSA-N
MW376.45 g/mol
LogP4.07
Rot. Bonds10

About 2-methoxy-4-[(Z)-4-(3-methoxy-4-prop-2-ynoxyphenyl)but-2-enyl]-1-prop-2-ynoxybenzene

2-methoxy-4-[(Z)-4-(3-methoxy-4-prop-2-ynoxyphenyl)but-2-enyl]-1-prop-2-ynoxybenzene (PubChem CID 155770275) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-methoxy-4-[(Z)-4-(3-methoxy-4-prop-2-ynoxyphenyl)but-2-enyl]-1-prop-2-ynoxybenzene.

Molecular Properties

Compound Name2-methoxy-4-[(Z)-4-(3-methoxy-4-prop-2-ynoxyphenyl)but-2-enyl]-1-prop-2-ynoxybenzene
PubChem CID155770275
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name2-methoxy-4-[(Z)-4-(3-methoxy-4-prop-2-ynoxyphenyl)but-2-enyl]-1-prop-2-ynoxybenzene
SMILESC#CCOc1ccc(C/C=C\Cc2ccc(OCC#C)c(OC)c2)cc1OC
InChIInChI=1S/C24H24O4/c1-5-15-27-21-13-11-19(17-23(21)25-3)9-7-8-10-20-12-14-22(28-16-6-2)24(18-20)26-4/h1-2,7-8,11-14,17-18H,9-10,15-16H2,3-4H3/b8-7-
InChIKeyWCCWAZGNSWHEBM-FPLPWBNLSA-N
XLogP4.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 60882435
1-(3-methoxy-4-prop-2-ynoxyphenyl)butan-2-amine;hydrochloride
CID 170889669
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine
CID 60881685
(3-methoxy-4-prop-2-ynoxyphenyl)methyl-[(1S)-1-phenylethyl]azanium
CID 2200629
[5-[(E)-4-(3,4-dimethoxyphenyl)but-2-enyl]-2-methoxyphenyl]-methylideneoxidanium
CID 58000822
methane;3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide
CID 143079492
ethane;methyl 3-methoxy-4-prop-2-ynoxybenzoate
CID 156726713
6,7-dimethoxy-2-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 87947050
2-(3,4-dimethoxyphenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-oxoacetamide
CID 18412065
5,12,20-trimethoxy-6,13,19-tris(prop-2-ynoxy)tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 71653531
1-(1-adamantyl)-N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]ethanamine
CID 19615238
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(Z)-4-(3-methoxy-4-prop-2-ynoxyphenyl)but-2-enyl]-1-prop-2-ynoxybenzene?
The IUPAC name of 2-methoxy-4-[(Z)-4-(3-methoxy-4-prop-2-ynoxyphenyl)but-2-enyl]-1-prop-2-ynoxybenzene (CID 155770275) is 2-methoxy-4-[(Z)-4-(3-methoxy-4-prop-2-ynoxyphenyl)but-2-enyl]-1-prop-2-ynoxybenzene.
What is the SMILES notation for 2-methoxy-4-[(Z)-4-(3-methoxy-4-prop-2-ynoxyphenyl)but-2-enyl]-1-prop-2-ynoxybenzene?
The canonical SMILES for 2-methoxy-4-[(Z)-4-(3-methoxy-4-prop-2-ynoxyphenyl)but-2-enyl]-1-prop-2-ynoxybenzene is C#CCOc1ccc(C/C=C\Cc2ccc(OCC#C)c(OC)c2)cc1OC.
What is the InChIKey of 2-methoxy-4-[(Z)-4-(3-methoxy-4-prop-2-ynoxyphenyl)but-2-enyl]-1-prop-2-ynoxybenzene?
The InChIKey is WCCWAZGNSWHEBM-FPLPWBNLSA-N. The full InChI is InChI=1S/C24H24O4/c1-5-15-27-21-13-11-19(17-23(21)25-3)9-7-8-10-20-12-14-22(28-16-6-2)24(18-20)26-4/h1-2,7-8,11-14,17-18H,9-10,15-16H2,3-4H3/b8-7-.
What are the key properties of 2-methoxy-4-[(Z)-4-(3-methoxy-4-prop-2-ynoxyphenyl)but-2-enyl]-1-prop-2-ynoxybenzene?
2-methoxy-4-[(Z)-4-(3-methoxy-4-prop-2-ynoxyphenyl)but-2-enyl]-1-prop-2-ynoxybenzene has a molecular weight of 376.45 g/mol, XLogP of 4.07, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(Z)-4-(3-methoxy-4-prop-2-ynoxyphenyl)but-2-enyl]-1-prop-2-ynoxybenzene is sourced from PubChem (CID 155770275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).