3,3-bis(3,8-dimethoxynaphthalen-2-yl)-2-benzofuran-1-one

C32H26O6 — CID 129396733

IUPAC3,3-bis(3,8-dimethoxynaphthalen-2-yl)-2-benzofuran-1-one
SMILESCOc1cc2cccc(OC)c2cc1C1(c2cc3c(OC)cccc3cc2OC)OC(=O)c2ccccc21
InChIInChI=1S/C32H26O6/c1-34-27-13-7-9-19-15-29(36-3)25(17-22(19)27)32(24-12-6-5-11-21(24)31(33)38-32)26-18-23-20(16-30(26)37-4)10-8-14-28(23)35-2/h5-18H,1-4H3
InChIKeyJWERYVBLTPJBHT-UHFFFAOYSA-N
MW506.55 g/mol
LogP6.49
Rot. Bonds6

About 3,3-bis(3,8-dimethoxynaphthalen-2-yl)-2-benzofuran-1-one

3,3-bis(3,8-dimethoxynaphthalen-2-yl)-2-benzofuran-1-one (PubChem CID 129396733) has the molecular formula C32H26O6 and a molecular weight of 506.55 g/mol. Its IUPAC name is 3,3-bis(3,8-dimethoxynaphthalen-2-yl)-2-benzofuran-1-one.

Molecular Properties

Compound Name3,3-bis(3,8-dimethoxynaphthalen-2-yl)-2-benzofuran-1-one
PubChem CID129396733
Molecular FormulaC32H26O6
Molecular Weight506.55 g/mol
Exact Mass506.17
IUPAC Name3,3-bis(3,8-dimethoxynaphthalen-2-yl)-2-benzofuran-1-one
SMILESCOc1cc2cccc(OC)c2cc1C1(c2cc3c(OC)cccc3cc2OC)OC(=O)c2ccccc21
InChIInChI=1S/C32H26O6/c1-34-27-13-7-9-19-15-29(36-3)25(17-22(19)27)32(24-12-6-5-11-21(24)31(33)38-32)26-18-23-20(16-30(26)37-4)10-8-14-28(23)35-2/h5-18H,1-4H3
InChIKeyJWERYVBLTPJBHT-UHFFFAOYSA-N
XLogP6.49
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.55
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-bis(2-hydroxynaphthalen-1-yl)-2-benzofuran-1-one
CID 71339065
3',6'-bis(4-methoxyanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 21242146
3-(4-chloro-2-hydroxy-5-methoxyphenyl)-3-[4-(dimethylamino)-2-methoxyphenyl]-2-benzofuran-1-one
CID 22292499
5-[(3,5-dimethoxynaphthalen-2-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599232
7-iodo-1,6-dimethoxynaphthalene
CID 14004783
3-(3-chloro-2-hydroxy-5-methoxyphenyl)-3-[4-(dimethylamino)-2-methoxyphenyl]-2-benzofuran-1-one
CID 23502507
3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 18364099
3,3-bis[2-(dimethylamino)phenyl]-2-benzofuran-1-one
CID 21244010
2',7'-difluoro-3'-(1-iodoethoxy)-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 143083374
acetic acid;(19'-acetyloxy-3-oxospiro[2-benzofuran-1,13'-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene]-7'-yl) acetate
CID 169432650
3,3-bis(4-hydroxy-2,3-dimethylphenyl)-2-benzofuran-1-one
CID 22946616
3-[3-(ethylamino)-2-hydroxy-4-(3-methylbutyl)phenyl]-3-(2-methoxy-5-methylphenyl)-2-benzofuran-1-one
CID 139783870

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(3,8-dimethoxynaphthalen-2-yl)-2-benzofuran-1-one?
The IUPAC name of 3,3-bis(3,8-dimethoxynaphthalen-2-yl)-2-benzofuran-1-one (CID 129396733) is 3,3-bis(3,8-dimethoxynaphthalen-2-yl)-2-benzofuran-1-one.
What is the SMILES notation for 3,3-bis(3,8-dimethoxynaphthalen-2-yl)-2-benzofuran-1-one?
The canonical SMILES for 3,3-bis(3,8-dimethoxynaphthalen-2-yl)-2-benzofuran-1-one is COc1cc2cccc(OC)c2cc1C1(c2cc3c(OC)cccc3cc2OC)OC(=O)c2ccccc21.
What is the InChIKey of 3,3-bis(3,8-dimethoxynaphthalen-2-yl)-2-benzofuran-1-one?
The InChIKey is JWERYVBLTPJBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O6/c1-34-27-13-7-9-19-15-29(36-3)25(17-22(19)27)32(24-12-6-5-11-21(24)31(33)38-32)26-18-23-20(16-30(26)37-4)10-8-14-28(23)35-2/h5-18H,1-4H3.
What are the key properties of 3,3-bis(3,8-dimethoxynaphthalen-2-yl)-2-benzofuran-1-one?
3,3-bis(3,8-dimethoxynaphthalen-2-yl)-2-benzofuran-1-one has a molecular weight of 506.55 g/mol, XLogP of 6.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(3,8-dimethoxynaphthalen-2-yl)-2-benzofuran-1-one is sourced from PubChem (CID 129396733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).