methyl 6-methoxy-3-(4-methoxyphenyl)-1H-indene-2-carboxylate

C19H18O4 — CID 20616859

IUPACmethyl 6-methoxy-3-(4-methoxyphenyl)-1H-indene-2-carboxylate
SMILESCOC(=O)C1=C(c2ccc(OC)cc2)c2ccc(OC)cc2C1
InChIInChI=1S/C19H18O4/c1-21-14-6-4-12(5-7-14)18-16-9-8-15(22-2)10-13(16)11-17(18)19(20)23-3/h4-10H,11H2,1-3H3
InChIKeyOJCCLUIAIKMTLL-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.23
Rot. Bonds4

About methyl 6-methoxy-3-(4-methoxyphenyl)-1H-indene-2-carboxylate

methyl 6-methoxy-3-(4-methoxyphenyl)-1H-indene-2-carboxylate (PubChem CID 20616859) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl 6-methoxy-3-(4-methoxyphenyl)-1H-indene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-3-(4-methoxyphenyl)-1H-indene-2-carboxylate
PubChem CID20616859
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Namemethyl 6-methoxy-3-(4-methoxyphenyl)-1H-indene-2-carboxylate
SMILESCOC(=O)C1=C(c2ccc(OC)cc2)c2ccc(OC)cc2C1
InChIInChI=1S/C19H18O4/c1-21-14-6-4-12(5-7-14)18-16-9-8-15(22-2)10-13(16)11-17(18)19(20)23-3/h4-10H,11H2,1-3H3
InChIKeyOJCCLUIAIKMTLL-UHFFFAOYSA-N
XLogP3.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-3-(4-methoxyphenyl)-1H-indene-2-carboxylate?
The IUPAC name of methyl 6-methoxy-3-(4-methoxyphenyl)-1H-indene-2-carboxylate (CID 20616859) is methyl 6-methoxy-3-(4-methoxyphenyl)-1H-indene-2-carboxylate.
What is the SMILES notation for methyl 6-methoxy-3-(4-methoxyphenyl)-1H-indene-2-carboxylate?
The canonical SMILES for methyl 6-methoxy-3-(4-methoxyphenyl)-1H-indene-2-carboxylate is COC(=O)C1=C(c2ccc(OC)cc2)c2ccc(OC)cc2C1.
What is the InChIKey of methyl 6-methoxy-3-(4-methoxyphenyl)-1H-indene-2-carboxylate?
The InChIKey is OJCCLUIAIKMTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-21-14-6-4-12(5-7-14)18-16-9-8-15(22-2)10-13(16)11-17(18)19(20)23-3/h4-10H,11H2,1-3H3.
What are the key properties of methyl 6-methoxy-3-(4-methoxyphenyl)-1H-indene-2-carboxylate?
methyl 6-methoxy-3-(4-methoxyphenyl)-1H-indene-2-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-3-(4-methoxyphenyl)-1H-indene-2-carboxylate is sourced from PubChem (CID 20616859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).