[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-benzylbenzoate

C27H22O4 — CID 23988356

IUPAC[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-benzylbenzoate
SMILESCOc1ccc2cc(C(=O)COC(=O)c3ccccc3Cc3ccccc3)ccc2c1
InChIInChI=1S/C27H22O4/c1-30-24-14-13-20-16-23(12-11-21(20)17-24)26(28)18-31-27(29)25-10-6-5-9-22(25)15-19-7-3-2-4-8-19/h2-14,16-17H,15,18H2,1H3
InChIKeyRSSUCUPTLZGSLN-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.48
Rot. Bonds7

About [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-benzylbenzoate

[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-benzylbenzoate (PubChem CID 23988356) has the molecular formula C27H22O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-benzylbenzoate.

Molecular Properties

Compound Name[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-benzylbenzoate
PubChem CID23988356
Molecular FormulaC27H22O4
Molecular Weight410.47 g/mol
Exact Mass410.15
IUPAC Name[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-benzylbenzoate
SMILESCOc1ccc2cc(C(=O)COC(=O)c3ccccc3Cc3ccccc3)ccc2c1
InChIInChI=1S/C27H22O4/c1-30-24-14-13-20-16-23(12-11-21(20)17-24)26(28)18-31-27(29)25-10-6-5-9-22(25)15-19-7-3-2-4-8-19/h2-14,16-17H,15,18H2,1H3
InChIKeyRSSUCUPTLZGSLN-UHFFFAOYSA-N
XLogP5.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 23960508
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-benzylbenzoate
CID 16528099
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-benzylbenzoate
CID 7809464
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334495
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate
CID 2587645
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 23937440
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2715818
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2337004
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 23990915
[2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2358793
[2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone
CID 14451235
[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-benzylbenzoate
CID 23847548

Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-benzylbenzoate?
The IUPAC name of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-benzylbenzoate (CID 23988356) is [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-benzylbenzoate.
What is the SMILES notation for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-benzylbenzoate?
The canonical SMILES for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-benzylbenzoate is COc1ccc2cc(C(=O)COC(=O)c3ccccc3Cc3ccccc3)ccc2c1.
What is the InChIKey of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-benzylbenzoate?
The InChIKey is RSSUCUPTLZGSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O4/c1-30-24-14-13-20-16-23(12-11-21(20)17-24)26(28)18-31-27(29)25-10-6-5-9-22(25)15-19-7-3-2-4-8-19/h2-14,16-17H,15,18H2,1H3.
What are the key properties of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-benzylbenzoate?
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-benzylbenzoate has a molecular weight of 410.47 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-benzylbenzoate is sourced from PubChem (CID 23988356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).