methyl (1Z)-1-[(3-methylphenyl)methylidene]indene-2-carboxylate

C19H16O2 — CID 102497038

IUPACmethyl (1Z)-1-[(3-methylphenyl)methylidene]indene-2-carboxylate
SMILESCOC(=O)C1=Cc2ccccc2/C1=C/c1cccc(C)c1
InChIInChI=1S/C19H16O2/c1-13-6-5-7-14(10-13)11-17-16-9-4-3-8-15(16)12-18(17)19(20)21-2/h3-12H,1-2H3/b17-11-
InChIKeyKTADZOKHROTKQM-BOPFTXTBSA-N
MW276.34 g/mol
LogP4.11
Rot. Bonds2

About methyl (1Z)-1-[(3-methylphenyl)methylidene]indene-2-carboxylate

methyl (1Z)-1-[(3-methylphenyl)methylidene]indene-2-carboxylate (PubChem CID 102497038) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl (1Z)-1-[(3-methylphenyl)methylidene]indene-2-carboxylate.

Molecular Properties

Compound Namemethyl (1Z)-1-[(3-methylphenyl)methylidene]indene-2-carboxylate
PubChem CID102497038
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Namemethyl (1Z)-1-[(3-methylphenyl)methylidene]indene-2-carboxylate
SMILESCOC(=O)C1=Cc2ccccc2/C1=C/c1cccc(C)c1
InChIInChI=1S/C19H16O2/c1-13-6-5-7-14(10-13)11-17-16-9-4-3-8-15(16)12-18(17)19(20)21-2/h3-12H,1-2H3/b17-11-
InChIKeyKTADZOKHROTKQM-BOPFTXTBSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (4Z)-2-methyl-1-[(4-methylphenyl)methyl]-4-[(3-methylphenyl)methylidene]-5-oxopyrrole-3-carboxylate
CID 21373228
methyl (4Z)-4-[(3-methylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66873009
2-(2-methylphenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 3109231
methyl 2-[(5Z)-5-[(3-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate
CID 18841172
methyl (4E)-4-[(3-methylphenyl)methylidene]-1-(4-methylphenyl)sulfonyl-5,6-dihydrocyclopenta[b]pyrrole-2-carboxylate
CID 66873736
methyl 3-[(Z)-(2-ethyl-5-methylsulfonylinden-1-ylidene)methyl]benzoate
CID 139792664
methyl 4-[(10-oxoanthracen-9-ylidene)methyl]benzoate
CID 23827804
methyl 2-[2-(3-methylphenyl)ethenylidene]hexanoate
CID 102499654
methyl (4Z)-1-butyl-4-[(3-fluorophenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
CID 126208151
methyl 3-[(Z)-(5-methylsulfonyl-2-propylinden-1-ylidene)methyl]benzoate
CID 139792608
methyl 2-amino-3-(3-methylphenyl)benzoate
CID 171919919
methanol;methyl 4-methylbenzoate;toluene
CID 142226695

Frequently Asked Questions

What is the IUPAC name of methyl (1Z)-1-[(3-methylphenyl)methylidene]indene-2-carboxylate?
The IUPAC name of methyl (1Z)-1-[(3-methylphenyl)methylidene]indene-2-carboxylate (CID 102497038) is methyl (1Z)-1-[(3-methylphenyl)methylidene]indene-2-carboxylate.
What is the SMILES notation for methyl (1Z)-1-[(3-methylphenyl)methylidene]indene-2-carboxylate?
The canonical SMILES for methyl (1Z)-1-[(3-methylphenyl)methylidene]indene-2-carboxylate is COC(=O)C1=Cc2ccccc2/C1=C/c1cccc(C)c1.
What is the InChIKey of methyl (1Z)-1-[(3-methylphenyl)methylidene]indene-2-carboxylate?
The InChIKey is KTADZOKHROTKQM-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H16O2/c1-13-6-5-7-14(10-13)11-17-16-9-4-3-8-15(16)12-18(17)19(20)21-2/h3-12H,1-2H3/b17-11-.
What are the key properties of methyl (1Z)-1-[(3-methylphenyl)methylidene]indene-2-carboxylate?
methyl (1Z)-1-[(3-methylphenyl)methylidene]indene-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1Z)-1-[(3-methylphenyl)methylidene]indene-2-carboxylate is sourced from PubChem (CID 102497038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).