3,3-bis(2-hydroxynaphthalen-1-yl)-2-benzofuran-1-one

C28H18O4 — CID 71339065

IUPAC3,3-bis(2-hydroxynaphthalen-1-yl)-2-benzofuran-1-one
SMILESO=C1OC(c2c(O)ccc3ccccc23)(c2c(O)ccc3ccccc23)c2ccccc21
InChIInChI=1S/C28H18O4/c29-23-15-13-17-7-1-3-9-19(17)25(23)28(22-12-6-5-11-21(22)27(31)32-28)26-20-10-4-2-8-18(20)14-16-24(26)30/h1-16,29-30H
InChIKeyZNBPCRYZAKWLEK-UHFFFAOYSA-N
MW418.45 g/mol
LogP5.87
Rot. Bonds2

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

3,3-bis(2-hydroxynaphthalen-1-yl)-2-benzofuran-1-one (PubChem CID 71339065) has the molecular formula C28H18O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 3,3-bis(2-hydroxynaphthalen-1-yl)-2-benzofuran-1-one.

Molecular Properties

Compound Name3,3-bis(2-hydroxynaphthalen-1-yl)-2-benzofuran-1-one
PubChem CID71339065
Molecular FormulaC28H18O4
Molecular Weight418.45 g/mol
Exact Mass418.12
IUPAC Name3,3-bis(2-hydroxynaphthalen-1-yl)-2-benzofuran-1-one
SMILESO=C1OC(c2c(O)ccc3ccccc23)(c2c(O)ccc3ccccc23)c2ccccc21
InChIInChI=1S/C28H18O4/c29-23-15-13-17-7-1-3-9-19(17)25(23)28(22-12-6-5-11-21(22)27(31)32-28)26-20-10-4-2-8-18(20)14-16-24(26)30/h1-16,29-30H
InChIKeyZNBPCRYZAKWLEK-UHFFFAOYSA-N
XLogP5.87
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.45
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-bis(4-hydroxy-2,3-dimethylphenyl)-2-benzofuran-1-one
CID 22946616
3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one
CID 59806850
3-(3-(18F)fluoro-4-hydroxynaphthalen-1-yl)-3-(4-hydroxynaphthalen-1-yl)-2-benzofuran-1-one
CID 71556089
3,3-bis(3,8-dimethoxynaphthalen-2-yl)-2-benzofuran-1-one
CID 129396733
3,3-bis(3-bromo-4-hydroxyphenyl)benzo[g][2]benzofuran-1-one
CID 24788889
3-(5-fluoro-2-hydroxyphenyl)-3-phenyl-2-benzofuran-1-one
CID 15576583
6,7-dihydroxyspiro[2-benzofuran-3,13'-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene]-1-one
CID 123820274
CID 175876286
CID 175876286
1-[9-(2-hydroxynaphthalen-1-yl)-2,7-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol
CID 176888059
9'-(1-ethoxyethoxy)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one
CID 146600223
3',10'-dihydroxyspiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
CID 14876464
10'-(diethylamino)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
CID 90471691

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(2-hydroxynaphthalen-1-yl)-2-benzofuran-1-one?
The IUPAC name of 3,3-bis(2-hydroxynaphthalen-1-yl)-2-benzofuran-1-one (CID 71339065) is 3,3-bis(2-hydroxynaphthalen-1-yl)-2-benzofuran-1-one.
What is the SMILES notation for 3,3-bis(2-hydroxynaphthalen-1-yl)-2-benzofuran-1-one?
The canonical SMILES for 3,3-bis(2-hydroxynaphthalen-1-yl)-2-benzofuran-1-one is O=C1OC(c2c(O)ccc3ccccc23)(c2c(O)ccc3ccccc23)c2ccccc21.
What is the InChIKey of 3,3-bis(2-hydroxynaphthalen-1-yl)-2-benzofuran-1-one?
The InChIKey is ZNBPCRYZAKWLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18O4/c29-23-15-13-17-7-1-3-9-19(17)25(23)28(22-12-6-5-11-21(22)27(31)32-28)26-20-10-4-2-8-18(20)14-16-24(26)30/h1-16,29-30H.
What are the key properties of 3,3-bis(2-hydroxynaphthalen-1-yl)-2-benzofuran-1-one?
3,3-bis(2-hydroxynaphthalen-1-yl)-2-benzofuran-1-one has a molecular weight of 418.45 g/mol, XLogP of 5.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(2-hydroxynaphthalen-1-yl)-2-benzofuran-1-one is sourced from PubChem (CID 71339065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).