2-(6-methoxynaphthalene-2-carbonyl)-5-phenylmethoxy-2,3-dihydroinden-1-one

C28H22O4 — CID 69201252

IUPAC2-(6-methoxynaphthalene-2-carbonyl)-5-phenylmethoxy-2,3-dihydroinden-1-one
SMILESCOc1ccc2cc(C(=O)C3Cc4cc(OCc5ccccc5)ccc4C3=O)ccc2c1
InChIInChI=1S/C28H22O4/c1-31-23-10-9-19-13-21(8-7-20(19)14-23)27(29)26-16-22-15-24(11-12-25(22)28(26)30)32-17-18-5-3-2-4-6-18/h2-15,26H,16-17H2,1H3
InChIKeyOZXCMMCOWRTDRF-UHFFFAOYSA-N
MW422.48 g/mol
LogP5.67
Rot. Bonds6

About 2-(6-methoxynaphthalene-2-carbonyl)-5-phenylmethoxy-2,3-dihydroinden-1-one

2-(6-methoxynaphthalene-2-carbonyl)-5-phenylmethoxy-2,3-dihydroinden-1-one (PubChem CID 69201252) has the molecular formula C28H22O4 and a molecular weight of 422.48 g/mol. Its IUPAC name is 2-(6-methoxynaphthalene-2-carbonyl)-5-phenylmethoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-(6-methoxynaphthalene-2-carbonyl)-5-phenylmethoxy-2,3-dihydroinden-1-one
PubChem CID69201252
Molecular FormulaC28H22O4
Molecular Weight422.48 g/mol
Exact Mass422.15
IUPAC Name2-(6-methoxynaphthalene-2-carbonyl)-5-phenylmethoxy-2,3-dihydroinden-1-one
SMILESCOc1ccc2cc(C(=O)C3Cc4cc(OCc5ccccc5)ccc4C3=O)ccc2c1
InChIInChI=1S/C28H22O4/c1-31-23-10-9-19-13-21(8-7-20(19)14-23)27(29)26-16-22-15-24(11-12-25(22)28(26)30)32-17-18-5-3-2-4-6-18/h2-15,26H,16-17H2,1H3
InChIKeyOZXCMMCOWRTDRF-UHFFFAOYSA-N
XLogP5.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroacetyl)-5-methoxy-2,3-dihydroinden-1-one
CID 121008324
2-acetyl-5-methoxy-2,3-dihydroinden-1-one
CID 121012834
5,6-dimethoxy-2-(4-methoxybenzoyl)-2,3-dihydroinden-1-one
CID 45101491
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
methyl (2R)-5-phenylmethoxy-2,3-dihydro-1H-indole-2-carboxylate
CID 57219346
methyl 2-amino-3-(1-oxo-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-2-yl)propanoate
CID 163741476
2-[[(E)-3-(6-methoxynaphthalen-2-yl)but-2-enoyl]amino]-5-phenylmethoxybenzoic acid
CID 155406677
(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone
CID 25472791
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783
(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 101410052
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
(3S)-3-hydroxy-3-[(2R)-6-methoxy-3-oxo-1,2-dihydroinden-2-yl]-1H-indol-2-one
CID 1118160

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalene-2-carbonyl)-5-phenylmethoxy-2,3-dihydroinden-1-one?
The IUPAC name of 2-(6-methoxynaphthalene-2-carbonyl)-5-phenylmethoxy-2,3-dihydroinden-1-one (CID 69201252) is 2-(6-methoxynaphthalene-2-carbonyl)-5-phenylmethoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-(6-methoxynaphthalene-2-carbonyl)-5-phenylmethoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 2-(6-methoxynaphthalene-2-carbonyl)-5-phenylmethoxy-2,3-dihydroinden-1-one is COc1ccc2cc(C(=O)C3Cc4cc(OCc5ccccc5)ccc4C3=O)ccc2c1.
What is the InChIKey of 2-(6-methoxynaphthalene-2-carbonyl)-5-phenylmethoxy-2,3-dihydroinden-1-one?
The InChIKey is OZXCMMCOWRTDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O4/c1-31-23-10-9-19-13-21(8-7-20(19)14-23)27(29)26-16-22-15-24(11-12-25(22)28(26)30)32-17-18-5-3-2-4-6-18/h2-15,26H,16-17H2,1H3.
What are the key properties of 2-(6-methoxynaphthalene-2-carbonyl)-5-phenylmethoxy-2,3-dihydroinden-1-one?
2-(6-methoxynaphthalene-2-carbonyl)-5-phenylmethoxy-2,3-dihydroinden-1-one has a molecular weight of 422.48 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalene-2-carbonyl)-5-phenylmethoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 69201252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).