(E)-1,3-bis(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-en-1-ol

C26H28O6 — CID 162410653

IUPAC(E)-1,3-bis(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-en-1-ol
SMILESCOc1ccc(/C(=C\c2cc(OC)cc(OC)c2)C(O)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C26H28O6/c1-28-20-8-6-18(7-9-20)25(12-17-10-21(29-2)15-22(11-17)30-3)26(27)19-13-23(31-4)16-24(14-19)32-5/h6-16,26-27H,1-5H3/b25-12+
InChIKeyYSZLLTLFPVZGDH-BRJLIKDPSA-N
MW436.50 g/mol
LogP5.00
Rot. Bonds9

About (E)-1,3-bis(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-en-1-ol

(E)-1,3-bis(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-en-1-ol (PubChem CID 162410653) has the molecular formula C26H28O6 and a molecular weight of 436.50 g/mol. Its IUPAC name is (E)-1,3-bis(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1,3-bis(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-en-1-ol
PubChem CID162410653
Molecular FormulaC26H28O6
Molecular Weight436.50 g/mol
Exact Mass436.19
IUPAC Name(E)-1,3-bis(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-en-1-ol
SMILESCOc1ccc(/C(=C\c2cc(OC)cc(OC)c2)C(O)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C26H28O6/c1-28-20-8-6-18(7-9-20)25(12-17-10-21(29-2)15-22(11-17)30-3)26(27)19-13-23(31-4)16-24(14-19)32-5/h6-16,26-27H,1-5H3/b25-12+
InChIKeyYSZLLTLFPVZGDH-BRJLIKDPSA-N
XLogP5.00
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.50
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-ol
CID 3004380
2-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-oxopropanal
CID 58695400
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
(E)-3-[4-[4-[(Z)-1-(3,5-dimethoxyphenyl)prop-1-en-2-yl]phenoxy]phenyl]-2-methylprop-2-enal
CID 89249884
1-bromo-3-methoxy-5-[(Z)-4-(4-methoxyphenyl)hex-4-en-3-yl]benzene
CID 155715555
[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-(3,5-dimethoxyphenyl)methanol
CID 90702066
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
2-(3,5-dimethoxyphenyl)-2-hydroxy-1-phenylethanone phosphate
CID 19390355
1-[3-[3-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene
CID 68531173
5-[2-fluoro-2-(4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175336601
(E)-4,4-difluoro-3-(4-methoxyphenyl)but-2-en-1-ol
CID 11600957

Frequently Asked Questions

What is the IUPAC name of (E)-1,3-bis(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-en-1-ol?
The IUPAC name of (E)-1,3-bis(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-en-1-ol (CID 162410653) is (E)-1,3-bis(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-1,3-bis(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-1,3-bis(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-en-1-ol is COc1ccc(/C(=C\c2cc(OC)cc(OC)c2)C(O)c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of (E)-1,3-bis(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-en-1-ol?
The InChIKey is YSZLLTLFPVZGDH-BRJLIKDPSA-N. The full InChI is InChI=1S/C26H28O6/c1-28-20-8-6-18(7-9-20)25(12-17-10-21(29-2)15-22(11-17)30-3)26(27)19-13-23(31-4)16-24(14-19)32-5/h6-16,26-27H,1-5H3/b25-12+.
What are the key properties of (E)-1,3-bis(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-en-1-ol?
(E)-1,3-bis(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-en-1-ol has a molecular weight of 436.50 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-bis(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 162410653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).