methyl 3-methoxy-1-[(E)-2-phenylethenyl]-1H-indene-2-carboxylate

C20H18O3 — CID 101411096

IUPACmethyl 3-methoxy-1-[(E)-2-phenylethenyl]-1H-indene-2-carboxylate
SMILESCOC(=O)C1=C(OC)c2ccccc2C1/C=C/c1ccccc1
InChIInChI=1S/C20H18O3/c1-22-19-17-11-7-6-10-15(17)16(18(19)20(21)23-2)13-12-14-8-4-3-5-9-14/h3-13,16H,1-2H3/b13-12+
InChIKeyOLYRBXZVMSNRMF-OUKQBFOZSA-N
MW306.36 g/mol
LogP4.03
Rot. Bonds4

About methyl 3-methoxy-1-[(E)-2-phenylethenyl]-1H-indene-2-carboxylate

methyl 3-methoxy-1-[(E)-2-phenylethenyl]-1H-indene-2-carboxylate (PubChem CID 101411096) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 3-methoxy-1-[(E)-2-phenylethenyl]-1H-indene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-1-[(E)-2-phenylethenyl]-1H-indene-2-carboxylate
PubChem CID101411096
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Namemethyl 3-methoxy-1-[(E)-2-phenylethenyl]-1H-indene-2-carboxylate
SMILESCOC(=O)C1=C(OC)c2ccccc2C1/C=C/c1ccccc1
InChIInChI=1S/C20H18O3/c1-22-19-17-11-7-6-10-15(17)16(18(19)20(21)23-2)13-12-14-8-4-3-5-9-14/h3-13,16H,1-2H3/b13-12+
InChIKeyOLYRBXZVMSNRMF-OUKQBFOZSA-N
XLogP4.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2,2-dimethyl-3-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate
CID 18624831
methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate
CID 155479645
2-methoxy-3-phenylprop-2-enoic acid
CID 7021154
dimethyl 2-phenyl-5-[(E)-2-phenylethenyl]benzene-1,4-dicarboxylate
CID 134959139
cis-dimethyl (2R,3S)-2-methyl-3-[(E)-2-phenylethenyl]cyclopropane-1,1-dicarboxylate
CID 15348856
methyl 2-[(E)-3-phenylprop-2-enoyl]benzoate
CID 10333131
dimethyl benzene-1,2-dicarboxylate;methyl (E)-3-phenylprop-2-enoate
CID 19966781
methyl 2-[(E)-3-phenylprop-2-enoyl]oxybenzoate
CID 6232774
methyl 4-[(E)-2-phenylethenyl]sulfonylbenzoate
CID 21252055
europium;tris(2-methoxy-3-phenylprop-2-enoic acid)
CID 169448208
tetramethyl heptacyclo[14.6.2.25,12.02,15.04,13.06,11.017,22]hexacosa-2(15),3,6,8,10,13,17,19,21,23,25-undecaene-23,24,25,26-tetracarboxylate
CID 44725155
CID 159805914
CID 159805914

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-1-[(E)-2-phenylethenyl]-1H-indene-2-carboxylate?
The IUPAC name of methyl 3-methoxy-1-[(E)-2-phenylethenyl]-1H-indene-2-carboxylate (CID 101411096) is methyl 3-methoxy-1-[(E)-2-phenylethenyl]-1H-indene-2-carboxylate.
What is the SMILES notation for methyl 3-methoxy-1-[(E)-2-phenylethenyl]-1H-indene-2-carboxylate?
The canonical SMILES for methyl 3-methoxy-1-[(E)-2-phenylethenyl]-1H-indene-2-carboxylate is COC(=O)C1=C(OC)c2ccccc2C1/C=C/c1ccccc1.
What is the InChIKey of methyl 3-methoxy-1-[(E)-2-phenylethenyl]-1H-indene-2-carboxylate?
The InChIKey is OLYRBXZVMSNRMF-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H18O3/c1-22-19-17-11-7-6-10-15(17)16(18(19)20(21)23-2)13-12-14-8-4-3-5-9-14/h3-13,16H,1-2H3/b13-12+.
What are the key properties of methyl 3-methoxy-1-[(E)-2-phenylethenyl]-1H-indene-2-carboxylate?
methyl 3-methoxy-1-[(E)-2-phenylethenyl]-1H-indene-2-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-1-[(E)-2-phenylethenyl]-1H-indene-2-carboxylate is sourced from PubChem (CID 101411096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).