(2Z,3Z)-2,3-bis[(4-phenylmethoxyphenyl)methylidene]butanedial

C32H26O4 — CID 11248500

IUPAC(2Z,3Z)-2,3-bis[(4-phenylmethoxyphenyl)methylidene]butanedial
SMILESO=CC(=C\c1ccc(OCc2ccccc2)cc1)/C(C=O)=C/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C32H26O4/c33-21-29(19-25-11-15-31(16-12-25)35-23-27-7-3-1-4-8-27)30(22-34)20-26-13-17-32(18-14-26)36-24-28-9-5-2-6-10-28/h1-22H,23-24H2/b29-19+,30-20+
InChIKeySSOHMODANPGQGE-CZYCKNNWSA-N
MW474.56 g/mol
LogP6.71
Rot. Bonds11

About (2Z,3Z)-2,3-bis[(4-phenylmethoxyphenyl)methylidene]butanedial

(2Z,3Z)-2,3-bis[(4-phenylmethoxyphenyl)methylidene]butanedial (PubChem CID 11248500) has the molecular formula C32H26O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is (2Z,3Z)-2,3-bis[(4-phenylmethoxyphenyl)methylidene]butanedial.

Molecular Properties

Compound Name(2Z,3Z)-2,3-bis[(4-phenylmethoxyphenyl)methylidene]butanedial
PubChem CID11248500
Molecular FormulaC32H26O4
Molecular Weight474.56 g/mol
Exact Mass474.18
IUPAC Name(2Z,3Z)-2,3-bis[(4-phenylmethoxyphenyl)methylidene]butanedial
SMILESO=CC(=C\c1ccc(OCc2ccccc2)cc1)/C(C=O)=C/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C32H26O4/c33-21-29(19-25-11-15-31(16-12-25)35-23-27-7-3-1-4-8-27)30(22-34)20-26-13-17-32(18-14-26)36-24-28-9-5-2-6-10-28/h1-22H,23-24H2/b29-19+,30-20+
InChIKeySSOHMODANPGQGE-CZYCKNNWSA-N
XLogP6.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(4-phenylmethoxyphenyl)prop-2-enal
CID 54097134
2,3-bis[[4-[(4-methoxyphenyl)methoxy]phenyl]methylidene]butanedial
CID 72968223
3-methyl-2-[(4-phenylmethoxyphenyl)methylidene]butanal
CID 79323761
2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methylidene]butanedial
CID 85426297
azane;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 173177562
(Z)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 17370059
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
methanamine;2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 173177580
2-(4-phenylmethoxyphenyl)ethenone
CID 175186077
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 139936599
ethanamine;(Z)-2-methoxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 173177701

Frequently Asked Questions

What is the IUPAC name of (2Z,3Z)-2,3-bis[(4-phenylmethoxyphenyl)methylidene]butanedial?
The IUPAC name of (2Z,3Z)-2,3-bis[(4-phenylmethoxyphenyl)methylidene]butanedial (CID 11248500) is (2Z,3Z)-2,3-bis[(4-phenylmethoxyphenyl)methylidene]butanedial.
What is the SMILES notation for (2Z,3Z)-2,3-bis[(4-phenylmethoxyphenyl)methylidene]butanedial?
The canonical SMILES for (2Z,3Z)-2,3-bis[(4-phenylmethoxyphenyl)methylidene]butanedial is O=CC(=C\c1ccc(OCc2ccccc2)cc1)/C(C=O)=C/c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2Z,3Z)-2,3-bis[(4-phenylmethoxyphenyl)methylidene]butanedial?
The InChIKey is SSOHMODANPGQGE-CZYCKNNWSA-N. The full InChI is InChI=1S/C32H26O4/c33-21-29(19-25-11-15-31(16-12-25)35-23-27-7-3-1-4-8-27)30(22-34)20-26-13-17-32(18-14-26)36-24-28-9-5-2-6-10-28/h1-22H,23-24H2/b29-19+,30-20+.
What are the key properties of (2Z,3Z)-2,3-bis[(4-phenylmethoxyphenyl)methylidene]butanedial?
(2Z,3Z)-2,3-bis[(4-phenylmethoxyphenyl)methylidene]butanedial has a molecular weight of 474.56 g/mol, XLogP of 6.71, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-2,3-bis[(4-phenylmethoxyphenyl)methylidene]butanedial is sourced from PubChem (CID 11248500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).