7-hydroxy-8-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)-3-methyl-3,4-dihydro-2H-naphthalen-1-one

C19H18O4 — CID 156963362

IUPAC7-hydroxy-8-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)-3-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC1CC(=O)c2c(ccc(O)c2C2OCc3c(O)cccc32)C1
InChIInChI=1S/C19H18O4/c1-10-7-11-5-6-15(21)18(17(11)16(22)8-10)19-12-3-2-4-14(20)13(12)9-23-19/h2-6,10,19-21H,7-9H2,1H3
InChIKeyPSIRSIGHIADHPZ-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.48
Rot. Bonds1

About 7-hydroxy-8-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)-3-methyl-3,4-dihydro-2H-naphthalen-1-one

7-hydroxy-8-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)-3-methyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 156963362) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 7-hydroxy-8-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)-3-methyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-hydroxy-8-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)-3-methyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID156963362
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name7-hydroxy-8-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)-3-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCC1CC(=O)c2c(ccc(O)c2C2OCc3c(O)cccc32)C1
InChIInChI=1S/C19H18O4/c1-10-7-11-5-6-15(21)18(17(11)16(22)8-10)19-12-3-2-4-14(20)13(12)9-23-19/h2-6,10,19-21H,7-9H2,1H3
InChIKeyPSIRSIGHIADHPZ-UHFFFAOYSA-N
XLogP3.48
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-hydroxy-8-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)-3-methyl-3,4-dihydro-2H-naphthalen-1-one with MolForge

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Related Compounds

(1S,6S,13S)-15-hydroxy-6-methyl-12,20-dioxapentacyclo[11.6.1.02,11.03,8.014,19]icosa-2(11),3(8),9,14(19),15,17-hexaen-4-one
CID 139584166
8-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 130036440
3-methyl-3,4-dihydro-1H-isochromen-5-ol
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(3R)-8-[(1R,3S)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3,7-dihydroxy-3-methyl-2,4-dihydronaphthalen-1-one
CID 122398139
2-(5-methyl-1,3-dioxan-2-yl)phenol
CID 45117153
(3S)-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
CID 10921069
(3S,4R)-3-propyl-3,4-dihydro-1H-isochromene-4,8-diol
CID 156581881
2,4,7-trimethyl-7,8-dihydro-6H-quinazolin-5-one
CID 22948964
5-hydroxy-2-methyl-2,3-dihydronaphthalene-1,4-dione
CID 14412241
(2S)-5,6-dihydroxy-2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 102167618
(9R,11R)-10,11-dimethyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,12,14-hexaene-3,4-diol
CID 13393907
1-[(1E,3E)-5-hydroxyhexa-1,3-dienyl]-1,3-dihydro-2-benzofuran-4-ol
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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)-3-methyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-hydroxy-8-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)-3-methyl-3,4-dihydro-2H-naphthalen-1-one (CID 156963362) is 7-hydroxy-8-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)-3-methyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-hydroxy-8-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)-3-methyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-hydroxy-8-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)-3-methyl-3,4-dihydro-2H-naphthalen-1-one is CC1CC(=O)c2c(ccc(O)c2C2OCc3c(O)cccc32)C1.
What is the InChIKey of 7-hydroxy-8-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)-3-methyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is PSIRSIGHIADHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-10-7-11-5-6-15(21)18(17(11)16(22)8-10)19-12-3-2-4-14(20)13(12)9-23-19/h2-6,10,19-21H,7-9H2,1H3.
What are the key properties of 7-hydroxy-8-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)-3-methyl-3,4-dihydro-2H-naphthalen-1-one?
7-hydroxy-8-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)-3-methyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 310.35 g/mol, XLogP of 3.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)-3-methyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 156963362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).