methyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate

C17H16O2 — CID 132566202

IUPACmethyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1cc2c(cc1-c1ccccc1)CCC2
InChIInChI=1S/C17H16O2/c1-19-17(18)16-11-14-9-5-8-13(14)10-15(16)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3
InChIKeyVCODIKMBXYDECA-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.63
Rot. Bonds2

About methyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate

methyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 132566202) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID132566202
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Namemethyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1cc2c(cc1-c1ccccc1)CCC2
InChIInChI=1S/C17H16O2/c1-19-17(18)16-11-14-9-5-8-13(14)10-15(16)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3
InChIKeyVCODIKMBXYDECA-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate
CID 125427256
methyl 2-phenyl-4-sulfanylbenzoate
CID 54364019
methyl 4-amino-2-phenylbenzoate
CID 15406988
methyl 2,5-dihydroxy-4-phenylbenzoate
CID 166444407
methyl 5-formyl-4-methyl-2-phenylbenzoate
CID 174407984
methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13318628
dimethyl tetracyclo[13.2.2.28,11.02,7]henicosa-1(17),2,4,6,8(21),9,11(20),15,18-nonaene-4,5-dicarboxylate
CID 633563
methyl 5-methyl-2-phenylbenzoate;5-methyl-2-phenylbenzoic acid
CID 70270036
dimethyl 2-phenyl-5-[(E)-2-phenylethenyl]benzene-1,4-dicarboxylate
CID 134959139
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate
CID 4793271
methyl 6-[2-(2-phenylphenyl)phenyl]-1,3-benzodioxole-5-carboxylate
CID 154647047
methyl 3-acetylazulene-1-carboxylate
CID 11241652

Frequently Asked Questions

What is the IUPAC name of methyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate (CID 132566202) is methyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1cc2c(cc1-c1ccccc1)CCC2.
What is the InChIKey of methyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is VCODIKMBXYDECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-19-17(18)16-11-14-9-5-8-13(14)10-15(16)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3.
What are the key properties of methyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate?
methyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-phenyl-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 132566202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).