(Z)-1-(4-hydroxyphenyl)-4-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one

C27H26O5 — CID 159086560

IUPAC(Z)-1-(4-hydroxyphenyl)-4-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one
SMILESCOc1cc(/C=C\c2ccccc2C/C=C\C(=O)c2ccc(O)cc2)cc(OC)c1OC
InChIInChI=1S/C27H26O5/c1-30-25-17-19(18-26(31-2)27(25)32-3)11-12-21-8-5-4-7-20(21)9-6-10-24(29)22-13-15-23(28)16-14-22/h4-8,10-18,28H,9H2,1-3H3/b10-6-,12-11-
InChIKeyRTDGDPKZRVNNPW-RCGVWGGBSA-N
MW430.50 g/mol
LogP5.57
Rot. Bonds9

About (Z)-1-(4-hydroxyphenyl)-4-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one

(Z)-1-(4-hydroxyphenyl)-4-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one (PubChem CID 159086560) has the molecular formula C27H26O5 and a molecular weight of 430.50 g/mol. Its IUPAC name is (Z)-1-(4-hydroxyphenyl)-4-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-hydroxyphenyl)-4-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one
PubChem CID159086560
Molecular FormulaC27H26O5
Molecular Weight430.50 g/mol
Exact Mass430.18
IUPAC Name(Z)-1-(4-hydroxyphenyl)-4-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one
SMILESCOc1cc(/C=C\c2ccccc2C/C=C\C(=O)c2ccc(O)cc2)cc(OC)c1OC
InChIInChI=1S/C27H26O5/c1-30-25-17-19(18-26(31-2)27(25)32-3)11-12-21-8-5-4-7-20(21)9-6-10-24(29)22-13-15-23(28)16-14-22/h4-8,10-18,28H,9H2,1-3H3/b10-6-,12-11-
InChIKeyRTDGDPKZRVNNPW-RCGVWGGBSA-N
XLogP5.57
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-1-(4-hydroxyphenyl)-4-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one with MolForge

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Related Compounds

(Z)-4-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-phenylbut-2-en-1-one
CID 158934432
(Z)-1-(3-hydroxy-4-methoxyphenyl)-4-[4-hydroxy-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one
CID 159572554
(Z)-4-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-(3,4,5-trimethoxyphenyl)but-2-en-1-one
CID 157265302
1-(4-hydroxyphenyl)-3-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 154251055
3-(3,4,5-trimethoxyphenyl)-1-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 71835462
(Z)-3-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 118495604
(Z)-1-(3-amino-4-methoxyphenyl)-4-[2-hydroxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one
CID 160585514
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 6214893
(Z)-3-[2-hydroxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-phenylprop-2-en-1-one
CID 118495376
1-phenyl-3-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 154121936
3-[3-bromo-2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 154362756
(E)-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 48922678

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-hydroxyphenyl)-4-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one?
The IUPAC name of (Z)-1-(4-hydroxyphenyl)-4-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one (CID 159086560) is (Z)-1-(4-hydroxyphenyl)-4-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-hydroxyphenyl)-4-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one?
The canonical SMILES for (Z)-1-(4-hydroxyphenyl)-4-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one is COc1cc(/C=C\c2ccccc2C/C=C\C(=O)c2ccc(O)cc2)cc(OC)c1OC.
What is the InChIKey of (Z)-1-(4-hydroxyphenyl)-4-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one?
The InChIKey is RTDGDPKZRVNNPW-RCGVWGGBSA-N. The full InChI is InChI=1S/C27H26O5/c1-30-25-17-19(18-26(31-2)27(25)32-3)11-12-21-8-5-4-7-20(21)9-6-10-24(29)22-13-15-23(28)16-14-22/h4-8,10-18,28H,9H2,1-3H3/b10-6-,12-11-.
What are the key properties of (Z)-1-(4-hydroxyphenyl)-4-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one?
(Z)-1-(4-hydroxyphenyl)-4-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one has a molecular weight of 430.50 g/mol, XLogP of 5.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-hydroxyphenyl)-4-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]but-2-en-1-one is sourced from PubChem (CID 159086560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).