propan-2-yl 2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-chromene-3-carboxylate

C24H26O7 — CID 11015437

IUPACpropan-2-yl 2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-chromene-3-carboxylate
SMILESCOC1=C(C(=O)OC(C)C)C(c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21
InChIInChI=1S/C24H26O7/c1-13(2)29-16-7-9-18-17(11-16)23(26-5)21(24(25)30-14(3)4)22(31-18)15-6-8-19-20(10-15)28-12-27-19/h6-11,13-14,22H,12H2,1-5H3
InChIKeyRSPYXTGYZPLOQF-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.65
Rot. Bonds6

About propan-2-yl 2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-chromene-3-carboxylate

propan-2-yl 2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-chromene-3-carboxylate (PubChem CID 11015437) has the molecular formula C24H26O7 and a molecular weight of 426.47 g/mol. Its IUPAC name is propan-2-yl 2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-chromene-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-chromene-3-carboxylate
PubChem CID11015437
Molecular FormulaC24H26O7
Molecular Weight426.47 g/mol
Exact Mass426.17
IUPAC Namepropan-2-yl 2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-chromene-3-carboxylate
SMILESCOC1=C(C(=O)OC(C)C)C(c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21
InChIInChI=1S/C24H26O7/c1-13(2)29-16-7-9-18-17(11-16)23(26-5)21(24(25)30-14(3)4)22(31-18)15-6-8-19-20(10-15)28-12-27-19/h6-11,13-14,22H,12H2,1-5H3
InChIKeyRSPYXTGYZPLOQF-UHFFFAOYSA-N
XLogP4.65
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-chromene-3-carboxylic acid
CID 10992620
propan-2-yl (2R)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-6-propan-2-yloxy-2H-chromene-3-carboxylate
CID 101208558
methyl 2-(1,3-benzodioxol-5-yl)-4-decoxy-6-propan-2-yloxy-2H-chromene-3-carboxylate
CID 10885878
2-(1,3-benzodioxol-5-yl)-6-propan-2-yloxy-4-propoxy-2H-chromene-3-carboxylic acid
CID 11026025
2-(1,3-benzodioxol-5-yl)-6-butoxy-4-propan-2-yloxy-2H-chromene-3-carboxylic acid;methyl 2-(1,3-benzodioxol-5-yl)-6-butoxy-4-propan-2-yloxy-2H-chromene-3-carboxylate
CID 162148419
methyl 2-(1,3-benzodioxol-5-yl)-4-methyl-6-propan-2-yloxy-2H-chromene-3-carboxylate;methyl 2-(1,3-benzodioxol-5-yl)-4-oxo-6-propan-2-yloxy-2,3-dihydrochromene-3-carboxylate
CID 161050989
2-(1,3-benzodioxol-5-yl)-4-(4-hydroxyphenyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid
CID 10961277
methyl 2-(1,3-benzodioxol-5-yl)-6-ethoxy-4-(4-methoxyphenyl)-2H-chromene-3-carboxylate
CID 10885018
2-(1,3-benzodioxol-5-yl)-4-(5-methylthiophen-2-yl)-7-propan-2-yloxy-2,5-dihydro-1-benzoxepine-3-carboxylic acid
CID 142247614
methyl 2-(1,3-benzodioxol-5-yl)-4-phenyl-2H-chromene-3-carboxylate
CID 10883558
2,4-bis(4-methoxyphenyl)-6-propan-2-yloxy-2H-chromene-3-carboxylic acid
CID 11762081
2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-6-methyl-2H-chromene-3-carboxylic acid
CID 22897789

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-chromene-3-carboxylate?
The IUPAC name of propan-2-yl 2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-chromene-3-carboxylate (CID 11015437) is propan-2-yl 2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-chromene-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-chromene-3-carboxylate?
The canonical SMILES for propan-2-yl 2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-chromene-3-carboxylate is COC1=C(C(=O)OC(C)C)C(c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21.
What is the InChIKey of propan-2-yl 2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-chromene-3-carboxylate?
The InChIKey is RSPYXTGYZPLOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O7/c1-13(2)29-16-7-9-18-17(11-16)23(26-5)21(24(25)30-14(3)4)22(31-18)15-6-8-19-20(10-15)28-12-27-19/h6-11,13-14,22H,12H2,1-5H3.
What are the key properties of propan-2-yl 2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-chromene-3-carboxylate?
propan-2-yl 2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-chromene-3-carboxylate has a molecular weight of 426.47 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(1,3-benzodioxol-5-yl)-4-methoxy-6-propan-2-yloxy-2H-chromene-3-carboxylate is sourced from PubChem (CID 11015437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).