methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate

C17H16O2 — CID 101211176

IUPACmethyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate
SMILESCOC(=O)[C@H]1c2ccccc2C[C@H]1c1ccccc1
InChIInChI=1S/C17H16O2/c1-19-17(18)16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12/h2-10,15-16H,11H2,1H3/t15-,16-/m0/s1
InChIKeyLXZQMZQKVJXCPX-HOTGVXAUSA-N
MW252.31 g/mol
LogP3.28
Rot. Bonds2

About methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate

methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate (PubChem CID 101211176) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate
PubChem CID101211176
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Namemethyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate
SMILESCOC(=O)[C@H]1c2ccccc2C[C@H]1c1ccccc1
InChIInChI=1S/C17H16O2/c1-19-17(18)16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12/h2-10,15-16H,11H2,1H3/t15-,16-/m0/s1
InChIKeyLXZQMZQKVJXCPX-HOTGVXAUSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 101261612
dimethyl (9S,10S)-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dicarboxylate
CID 134853900
methyl (1S,6S)-2-hydroxy-4-oxo-6-phenylcyclohex-2-ene-1-carboxylate
CID 6943850
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173
methyl 2-methylidene-6-oxo-4-phenylpiperidine-3-carboxylate
CID 4050196
methyl (1S,3S,6S)-3-acetyl-2,4-dioxo-6-phenylcyclohexane-1-carboxylate
CID 792850
methyl (1R,3R,6S)-3-acetyl-2,4-dioxo-6-phenylcyclohexane-1-carboxylate
CID 98173141
methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 102001294
methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
CID 83985069
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
(1R,2S)-2-phenyl-2,3-dihydro-1H-inden-1-ol
CID 129386741
cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate?
The IUPAC name of methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate (CID 101211176) is methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate.
What is the SMILES notation for methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate?
The canonical SMILES for methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate is COC(=O)[C@H]1c2ccccc2C[C@H]1c1ccccc1.
What is the InChIKey of methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate?
The InChIKey is LXZQMZQKVJXCPX-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H16O2/c1-19-17(18)16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12/h2-10,15-16H,11H2,1H3/t15-,16-/m0/s1.
What are the key properties of methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate?
methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate is sourced from PubChem (CID 101211176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).