benzyl 4-[(1R)-2,3-dihydro-1H-inden-1-yl]benzoate

C23H20O2 — CID 102289871

IUPACbenzyl 4-[(1R)-2,3-dihydro-1H-inden-1-yl]benzoate
SMILESO=C(OCc1ccccc1)c1ccc([C@H]2CCc3ccccc32)cc1
InChIInChI=1S/C23H20O2/c24-23(25-16-17-6-2-1-3-7-17)20-12-10-19(11-13-20)22-15-14-18-8-4-5-9-21(18)22/h1-13,22H,14-16H2/t22-/m1/s1
InChIKeyNSNUSSNCLNLYEW-JOCHJYFZSA-N
MW328.41 g/mol
LogP5.12
Rot. Bonds4

About benzyl 4-[(1R)-2,3-dihydro-1H-inden-1-yl]benzoate

benzyl 4-[(1R)-2,3-dihydro-1H-inden-1-yl]benzoate (PubChem CID 102289871) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is benzyl 4-[(1R)-2,3-dihydro-1H-inden-1-yl]benzoate.

Molecular Properties

Compound Namebenzyl 4-[(1R)-2,3-dihydro-1H-inden-1-yl]benzoate
PubChem CID102289871
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Namebenzyl 4-[(1R)-2,3-dihydro-1H-inden-1-yl]benzoate
SMILESO=C(OCc1ccccc1)c1ccc([C@H]2CCc3ccccc32)cc1
InChIInChI=1S/C23H20O2/c24-23(25-16-17-6-2-1-3-7-17)20-12-10-19(11-13-20)22-15-14-18-8-4-5-9-21(18)22/h1-13,22H,14-16H2/t22-/m1/s1
InChIKeyNSNUSSNCLNLYEW-JOCHJYFZSA-N
XLogP5.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl (3S)-3-phenylmethoxy-2,3-dihydro-1H-indene-5-carboxylate
CID 90254651
benzyl benzoate
CID 2345
benzyl 4-[(cyclopropylamino)methyl]benzoate
CID 138498071
5-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]furan-2-carboxylic acid
CID 10336968
benzyl 4-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)benzoate
CID 58126345
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
benzyl 4-acetylbenzoate
CID 590101
benzyl benzoate;2-phenylacetic acid
CID 70386781
benzyl 4-bromobenzoate
CID 603177
benzyl 4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]benzoate
CID 101373443
(1R)-1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 132584955
benzyl 4-[[2,4,4,6,6-pentakis(4-phenylmethoxycarbonylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]benzoate
CID 132506763

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(1R)-2,3-dihydro-1H-inden-1-yl]benzoate?
The IUPAC name of benzyl 4-[(1R)-2,3-dihydro-1H-inden-1-yl]benzoate (CID 102289871) is benzyl 4-[(1R)-2,3-dihydro-1H-inden-1-yl]benzoate.
What is the SMILES notation for benzyl 4-[(1R)-2,3-dihydro-1H-inden-1-yl]benzoate?
The canonical SMILES for benzyl 4-[(1R)-2,3-dihydro-1H-inden-1-yl]benzoate is O=C(OCc1ccccc1)c1ccc([C@H]2CCc3ccccc32)cc1.
What is the InChIKey of benzyl 4-[(1R)-2,3-dihydro-1H-inden-1-yl]benzoate?
The InChIKey is NSNUSSNCLNLYEW-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H20O2/c24-23(25-16-17-6-2-1-3-7-17)20-12-10-19(11-13-20)22-15-14-18-8-4-5-9-21(18)22/h1-13,22H,14-16H2/t22-/m1/s1.
What are the key properties of benzyl 4-[(1R)-2,3-dihydro-1H-inden-1-yl]benzoate?
benzyl 4-[(1R)-2,3-dihydro-1H-inden-1-yl]benzoate has a molecular weight of 328.41 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(1R)-2,3-dihydro-1H-inden-1-yl]benzoate is sourced from PubChem (CID 102289871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).