2,4-bis(4-methoxyphenyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid

C27H26O6 — CID 11762081

IUPAC2,4-bis(4-methoxyphenyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid
SMILESCOc1ccc(C2=C(C(=O)O)C(c3ccc(OC)cc3)Oc3ccc(OC(C)C)cc32)cc1
InChIInChI=1S/C27H26O6/c1-16(2)32-21-13-14-23-22(15-21)24(17-5-9-19(30-3)10-6-17)25(27(28)29)26(33-23)18-7-11-20(31-4)12-8-18/h5-16,26H,1-4H3,(H,28,29)
InChIKeyKEBCCDBUEWIYNJ-UHFFFAOYSA-N
MW446.50 g/mol
LogP5.51
Rot. Bonds7

About 2,4-bis(4-methoxyphenyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid

2,4-bis(4-methoxyphenyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid (PubChem CID 11762081) has the molecular formula C27H26O6 and a molecular weight of 446.50 g/mol. Its IUPAC name is 2,4-bis(4-methoxyphenyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name2,4-bis(4-methoxyphenyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid
PubChem CID11762081
Molecular FormulaC27H26O6
Molecular Weight446.50 g/mol
Exact Mass446.17
IUPAC Name2,4-bis(4-methoxyphenyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid
SMILESCOc1ccc(C2=C(C(=O)O)C(c3ccc(OC)cc3)Oc3ccc(OC(C)C)cc32)cc1
InChIInChI=1S/C27H26O6/c1-16(2)32-21-13-14-23-22(15-21)24(17-5-9-19(30-3)10-6-17)25(27(28)29)26(33-23)18-7-11-20(31-4)12-8-18/h5-16,26H,1-4H3,(H,28,29)
InChIKeyKEBCCDBUEWIYNJ-UHFFFAOYSA-N
XLogP5.51
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.50
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Cyclohexanone, 3a
CID 11162677
Cyclohexanone, 3b
CID 11370317
4-Hydroxy-7-methoxy-3-(1-phenyl-propyl)-chromen-2-one
CID 54680110
4,7-Dihydroxy-3-[4-(2-methoxyphenyl)butyl]-2H-chromen-2-one
CID 54686606

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methoxyphenyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid?
The IUPAC name of 2,4-bis(4-methoxyphenyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid (CID 11762081) is 2,4-bis(4-methoxyphenyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 2,4-bis(4-methoxyphenyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid?
The canonical SMILES for 2,4-bis(4-methoxyphenyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid is COc1ccc(C2=C(C(=O)O)C(c3ccc(OC)cc3)Oc3ccc(OC(C)C)cc32)cc1.
What is the InChIKey of 2,4-bis(4-methoxyphenyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid?
The InChIKey is KEBCCDBUEWIYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O6/c1-16(2)32-21-13-14-23-22(15-21)24(17-5-9-19(30-3)10-6-17)25(27(28)29)26(33-23)18-7-11-20(31-4)12-8-18/h5-16,26H,1-4H3,(H,28,29).
What are the key properties of 2,4-bis(4-methoxyphenyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid?
2,4-bis(4-methoxyphenyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid has a molecular weight of 446.50 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methoxyphenyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 11762081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).