[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-methoxybenzoate

C19H18O4 — CID 7485451

IUPAC[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H18O4/c1-22-18-8-3-2-7-16(18)19(21)23-12-17(20)15-10-9-13-5-4-6-14(13)11-15/h2-3,7-11H,4-6,12H2,1H3
InChIKeyNFBOZKMFEJGCRD-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.22
Rot. Bonds5

About [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-methoxybenzoate

[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-methoxybenzoate (PubChem CID 7485451) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-methoxybenzoate
PubChem CID7485451
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H18O4/c1-22-18-8-3-2-7-16(18)19(21)23-12-17(20)15-10-9-13-5-4-6-14(13)11-15/h2-3,7-11H,4-6,12H2,1H3
InChIKeyNFBOZKMFEJGCRD-UHFFFAOYSA-N
XLogP3.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42986912
2,3-dihydro-1H-inden-5-yl-(2-methoxyphenyl)methanone
CID 43338938
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7626940
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133609
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 46806247
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 4-ethoxy-3-methoxybenzoate
CID 7416087
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 16524318
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891418
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7500911
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2,4-difluorobenzoate
CID 7951467
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 4-(methoxymethyl)benzoate
CID 7587823

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-methoxybenzoate?
The IUPAC name of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-methoxybenzoate (CID 7485451) is [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-methoxybenzoate.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-methoxybenzoate?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-methoxybenzoate is COc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-methoxybenzoate?
The InChIKey is NFBOZKMFEJGCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-22-18-8-3-2-7-16(18)19(21)23-12-17(20)15-10-9-13-5-4-6-14(13)11-15/h2-3,7-11H,4-6,12H2,1H3.
What are the key properties of [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-methoxybenzoate?
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-methoxybenzoate has a molecular weight of 310.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-methoxybenzoate is sourced from PubChem (CID 7485451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).