4-hydroxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one

C19H14O4 — CID 14057718

IUPAC4-hydroxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one
SMILESCOc1ccc(-c2c3c(c(O)c4ccccc24)COC3=O)cc1
InChIInChI=1S/C19H14O4/c1-22-12-8-6-11(7-9-12)16-13-4-2-3-5-14(13)18(20)15-10-23-19(21)17(15)16/h2-9,20H,10H2,1H3
InChIKeyVVVORIQYPOBQQS-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.89
Rot. Bonds2

About 4-hydroxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one

4-hydroxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one (PubChem CID 14057718) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-hydroxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one.

Molecular Properties

Compound Name4-hydroxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one
PubChem CID14057718
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name4-hydroxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one
SMILESCOc1ccc(-c2c3c(c(O)c4ccccc24)COC3=O)cc1
InChIInChI=1S/C19H14O4/c1-22-12-8-6-11(7-9-12)16-13-4-2-3-5-14(13)18(20)15-10-23-19(21)17(15)16/h2-9,20H,10H2,1H3
InChIKeyVVVORIQYPOBQQS-UHFFFAOYSA-N
XLogP3.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-9-(4-methoxyphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one
CID 118529990
4-(3,5-dimethoxyphenyl)-1H-benzo[f][2]benzofuran-3-one
CID 25058711
9-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 10500931
3-hydroxy-4-(4-methoxyphenyl)pyran-2,5-dione
CID 583985
5,7-dihydroxy-6-methoxy-4-methyl-3H-2-benzofuran-1-one
CID 156582406
3-hydroxy-2-(4-methoxyphenyl)cyclohepta[b]pyran-4,9-dione
CID 850149
4-methoxy-9-(3-methoxy-5-methylphenyl)-6,7-dimethyl-3H-benzo[f][2]benzofuran-1-one
CID 118530000
3-(4-methoxyphenyl)-4-(4-methylphenyl)isochromen-1-one
CID 122367134
10,10-bis(4-methoxyphenyl)-4,11-dioxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),7(12),8,13,15-hexaen-5-one
CID 15508915
methyl 4-(4-methoxyphenyl)-1-oxo-2H-isoquinoline-3-carboxylate
CID 134913436
4-[[7-hydroxy-4-(hydroxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-6,7-dimethoxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one
CID 130376612
1,3,6,8-tetrakis(4-methoxyphenyl)pyrene-2,7-diol
CID 163210794

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one?
The IUPAC name of 4-hydroxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one (CID 14057718) is 4-hydroxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one.
What is the SMILES notation for 4-hydroxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one?
The canonical SMILES for 4-hydroxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one is COc1ccc(-c2c3c(c(O)c4ccccc24)COC3=O)cc1.
What is the InChIKey of 4-hydroxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one?
The InChIKey is VVVORIQYPOBQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c1-22-12-8-6-11(7-9-12)16-13-4-2-3-5-14(13)18(20)15-10-23-19(21)17(15)16/h2-9,20H,10H2,1H3.
What are the key properties of 4-hydroxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one?
4-hydroxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one has a molecular weight of 306.32 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-9-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one is sourced from PubChem (CID 14057718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).