2-propan-2-yl-3-[(Z)-2-(2,3,4-trimethoxyphenyl)ethenyl]furo[3,2-g]chromen-7-one

C25H24O6 — CID 102358407

IUPAC2-propan-2-yl-3-[(Z)-2-(2,3,4-trimethoxyphenyl)ethenyl]furo[3,2-g]chromen-7-one
SMILESCOc1ccc(/C=C\c2c(C(C)C)oc3cc4oc(=O)ccc4cc23)c(OC)c1OC
InChIInChI=1S/C25H24O6/c1-14(2)23-17(9-6-15-7-10-19(27-3)25(29-5)24(15)28-4)18-12-16-8-11-22(26)30-20(16)13-21(18)31-23/h6-14H,1-5H3/b9-6-
InChIKeyWRPMTPKRYBTTQE-TWGQIWQCSA-N
MW420.46 g/mol
LogP5.86
Rot. Bonds6

About 2-propan-2-yl-3-[(Z)-2-(2,3,4-trimethoxyphenyl)ethenyl]furo[3,2-g]chromen-7-one

2-propan-2-yl-3-[(Z)-2-(2,3,4-trimethoxyphenyl)ethenyl]furo[3,2-g]chromen-7-one (PubChem CID 102358407) has the molecular formula C25H24O6 and a molecular weight of 420.46 g/mol. Its IUPAC name is 2-propan-2-yl-3-[(Z)-2-(2,3,4-trimethoxyphenyl)ethenyl]furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name2-propan-2-yl-3-[(Z)-2-(2,3,4-trimethoxyphenyl)ethenyl]furo[3,2-g]chromen-7-one
PubChem CID102358407
Molecular FormulaC25H24O6
Molecular Weight420.46 g/mol
Exact Mass420.16
IUPAC Name2-propan-2-yl-3-[(Z)-2-(2,3,4-trimethoxyphenyl)ethenyl]furo[3,2-g]chromen-7-one
SMILESCOc1ccc(/C=C\c2c(C(C)C)oc3cc4oc(=O)ccc4cc23)c(OC)c1OC
InChIInChI=1S/C25H24O6/c1-14(2)23-17(9-6-15-7-10-19(27-3)25(29-5)24(15)28-4)18-12-16-8-11-22(26)30-20(16)13-21(18)31-23/h6-14H,1-5H3/b9-6-
InChIKeyWRPMTPKRYBTTQE-TWGQIWQCSA-N
XLogP5.86
TPSA71.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.46
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethoxychromen-2-one
CID 159563577
3-methoxyfuro[3,2-g]chromen-7-one
CID 12896811
sodium;6,7-dimethoxychromen-2-one;chloride
CID 174522152
7-methoxy-6-[(E)-3-methoxy-3-methylbut-1-enyl]chromen-2-one
CID 14212556
5,7-dimethoxy-6-(3-methylbutyl)chromen-2-one
CID 90655370
7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one
CID 158863716
(7-methoxy-2-oxochromen-6-yl) hydrogen sulfate
CID 163085757
2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one
CID 160954791
1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene
CID 20839497
(6-methoxy-2-oxochromen-7-yl) 3-methylbutanoate
CID 155292895
6-(3-ethoxy-3-methylbut-1-enyl)-7-methoxychromen-2-one
CID 162950846
7-methoxy-6-nitrochromen-2-one
CID 10656586

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-[(Z)-2-(2,3,4-trimethoxyphenyl)ethenyl]furo[3,2-g]chromen-7-one?
The IUPAC name of 2-propan-2-yl-3-[(Z)-2-(2,3,4-trimethoxyphenyl)ethenyl]furo[3,2-g]chromen-7-one (CID 102358407) is 2-propan-2-yl-3-[(Z)-2-(2,3,4-trimethoxyphenyl)ethenyl]furo[3,2-g]chromen-7-one.
What is the SMILES notation for 2-propan-2-yl-3-[(Z)-2-(2,3,4-trimethoxyphenyl)ethenyl]furo[3,2-g]chromen-7-one?
The canonical SMILES for 2-propan-2-yl-3-[(Z)-2-(2,3,4-trimethoxyphenyl)ethenyl]furo[3,2-g]chromen-7-one is COc1ccc(/C=C\c2c(C(C)C)oc3cc4oc(=O)ccc4cc23)c(OC)c1OC.
What is the InChIKey of 2-propan-2-yl-3-[(Z)-2-(2,3,4-trimethoxyphenyl)ethenyl]furo[3,2-g]chromen-7-one?
The InChIKey is WRPMTPKRYBTTQE-TWGQIWQCSA-N. The full InChI is InChI=1S/C25H24O6/c1-14(2)23-17(9-6-15-7-10-19(27-3)25(29-5)24(15)28-4)18-12-16-8-11-22(26)30-20(16)13-21(18)31-23/h6-14H,1-5H3/b9-6-.
What are the key properties of 2-propan-2-yl-3-[(Z)-2-(2,3,4-trimethoxyphenyl)ethenyl]furo[3,2-g]chromen-7-one?
2-propan-2-yl-3-[(Z)-2-(2,3,4-trimethoxyphenyl)ethenyl]furo[3,2-g]chromen-7-one has a molecular weight of 420.46 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-[(Z)-2-(2,3,4-trimethoxyphenyl)ethenyl]furo[3,2-g]chromen-7-one is sourced from PubChem (CID 102358407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).