[4-[(Z)-1-[[(2Z)-2-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-4-methylpenta-2,4-dienylidene]amino]-3-methylbut-1-enyl]phenyl]methanol

C25H33NO2 — CID 144710114

IUPAC[4-[(Z)-1-[[(2Z)-2-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-4-methylpenta-2,4-dienylidene]amino]-3-methylbut-1-enyl]phenyl]methanol
SMILESC=C(C)/C=C(\C=N\C(=C/C(C)C)c1ccc(CO)cc1)C(/C(=C)C)=C(\C)OC
InChIInChI=1S/C25H33NO2/c1-17(2)13-23(25(19(5)6)20(7)28-8)15-26-24(14-18(3)4)22-11-9-21(16-27)10-12-22/h9-15,18,27H,1,5,16H2,2-4,6-8H3/b23-13+,24-14-,25-20+,26-15+
InChIKeyZSLPTIBFUKHPJH-GXDFXJQHSA-N
MW379.54 g/mol
LogP6.25
Rot. Bonds9

About [4-[(Z)-1-[[(2Z)-2-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-4-methylpenta-2,4-dienylidene]amino]-3-methylbut-1-enyl]phenyl]methanol

[4-[(Z)-1-[[(2Z)-2-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-4-methylpenta-2,4-dienylidene]amino]-3-methylbut-1-enyl]phenyl]methanol (PubChem CID 144710114) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is [4-[(Z)-1-[[(2Z)-2-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-4-methylpenta-2,4-dienylidene]amino]-3-methylbut-1-enyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(Z)-1-[[(2Z)-2-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-4-methylpenta-2,4-dienylidene]amino]-3-methylbut-1-enyl]phenyl]methanol
PubChem CID144710114
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC Name[4-[(Z)-1-[[(2Z)-2-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-4-methylpenta-2,4-dienylidene]amino]-3-methylbut-1-enyl]phenyl]methanol
SMILESC=C(C)/C=C(\C=N\C(=C/C(C)C)c1ccc(CO)cc1)C(/C(=C)C)=C(\C)OC
InChIInChI=1S/C25H33NO2/c1-17(2)13-23(25(19(5)6)20(7)28-8)15-26-24(14-18(3)4)22-11-9-21(16-27)10-12-22/h9-15,18,27H,1,5,16H2,2-4,6-8H3/b23-13+,24-14-,25-20+,26-15+
InChIKeyZSLPTIBFUKHPJH-GXDFXJQHSA-N
XLogP6.25
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [4-[(Z)-1-[[(2Z)-2-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-4-methylpenta-2,4-dienylidene]amino]-3-methylbut-1-enyl]phenyl]methanol with MolForge

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Related Compounds

4-ethyl-1,1-difluorocyclohexane;[4-[(Z)-1-[[(2Z)-2-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-4-methylpenta-2,4-dienylidene]amino]-3-methylbut-1-enyl]phenyl]methanol
CID 144710113
2-[4-(3,4-Dihydropyridin-6-yl)phenyl]propan-2-ol
CID 71217952
[3-[(2E,4E)-5-[1-(2-methoxy-4H-azepin-6-yl)ethenyliminomethyl]-6-methylhepta-2,4,6-trien-2-yl]phenyl]methanol
CID 126516284
[4-[(Z)-1-[[(3Z,5Z)-4-methylhepta-3,5-dien-2-ylidene]amino]prop-1-enyl]phenyl]methanol
CID 126635020
ethane;[4-[(1E)-2-fluoro-1-(methylideneamino)buta-1,3-dienyl]phenyl]methanol
CID 170707360
(E)-7-[(Z)-3-hydroxy-1-phenylprop-1-enyl]iminohept-2-en-3-ol
CID 143382136

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-1-[[(2Z)-2-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-4-methylpenta-2,4-dienylidene]amino]-3-methylbut-1-enyl]phenyl]methanol?
The IUPAC name of [4-[(Z)-1-[[(2Z)-2-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-4-methylpenta-2,4-dienylidene]amino]-3-methylbut-1-enyl]phenyl]methanol (CID 144710114) is [4-[(Z)-1-[[(2Z)-2-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-4-methylpenta-2,4-dienylidene]amino]-3-methylbut-1-enyl]phenyl]methanol.
What is the SMILES notation for [4-[(Z)-1-[[(2Z)-2-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-4-methylpenta-2,4-dienylidene]amino]-3-methylbut-1-enyl]phenyl]methanol?
The canonical SMILES for [4-[(Z)-1-[[(2Z)-2-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-4-methylpenta-2,4-dienylidene]amino]-3-methylbut-1-enyl]phenyl]methanol is C=C(C)/C=C(\C=N\C(=C/C(C)C)c1ccc(CO)cc1)C(/C(=C)C)=C(\C)OC.
What is the InChIKey of [4-[(Z)-1-[[(2Z)-2-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-4-methylpenta-2,4-dienylidene]amino]-3-methylbut-1-enyl]phenyl]methanol?
The InChIKey is ZSLPTIBFUKHPJH-GXDFXJQHSA-N. The full InChI is InChI=1S/C25H33NO2/c1-17(2)13-23(25(19(5)6)20(7)28-8)15-26-24(14-18(3)4)22-11-9-21(16-27)10-12-22/h9-15,18,27H,1,5,16H2,2-4,6-8H3/b23-13+,24-14-,25-20+,26-15+.
What are the key properties of [4-[(Z)-1-[[(2Z)-2-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-4-methylpenta-2,4-dienylidene]amino]-3-methylbut-1-enyl]phenyl]methanol?
[4-[(Z)-1-[[(2Z)-2-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-4-methylpenta-2,4-dienylidene]amino]-3-methylbut-1-enyl]phenyl]methanol has a molecular weight of 379.54 g/mol, XLogP of 6.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-1-[[(2Z)-2-[(3E)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-4-methylpenta-2,4-dienylidene]amino]-3-methylbut-1-enyl]phenyl]methanol is sourced from PubChem (CID 144710114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).