1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione

C15H10O5 — CID 139586019

IUPAC1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione
SMILESCOc1cccc2c(=O)oc3cccc(O)c3c(=O)c12
InChIInChI=1S/C15H10O5/c1-19-10-6-2-4-8-12(10)14(17)13-9(16)5-3-7-11(13)20-15(8)18/h2-7,16H,1H3
InChIKeyRNUUBZYKNZUZBR-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.02
Rot. Bonds1

About 1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione

1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione (PubChem CID 139586019) has the molecular formula C15H10O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione.

Molecular Properties

Compound Name1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione
PubChem CID139586019
Molecular FormulaC15H10O5
Molecular Weight270.24 g/mol
Exact Mass270.05
IUPAC Name1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione
SMILESCOc1cccc2c(=O)oc3cccc(O)c3c(=O)c12
InChIInChI=1S/C15H10O5/c1-19-10-6-2-4-8-12(10)14(17)13-9(16)5-3-7-11(13)20-15(8)18/h2-7,16H,1H3
InChIKeyRNUUBZYKNZUZBR-UHFFFAOYSA-N
XLogP2.02
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxychromen-2-one
CID 19930053
1-hydroxy-3,4,8-trimethoxyxanthen-9-one
CID 162882586
1-acetyl-3-hydroxy-10-methoxybenzo[c]chromen-6-one
CID 171935988
8-hydroxy-3-methoxy-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,11,17-trione
CID 11198778
3-hydroxy-4,10-dimethoxy-1-methylbenzo[c]chromen-6-one
CID 171935993
7-hydroxy-1-methoxyxanthen-9-one
CID 10490332
4-hydroxy-1-methoxyxanthen-9-one
CID 162982875
2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one
CID 172643077
2-(3,5-dimethoxy-2-oxochromen-4-yl)acetic acid
CID 174954482
5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 14269668
5-methoxy-4-methylchromen-2-one
CID 11286956
1,9-dihydroxy-10-methoxy-3-methylbenzo[c][1]benzoxepine-6,11-dione
CID 139587486

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione?
The IUPAC name of 1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione (CID 139586019) is 1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione.
What is the SMILES notation for 1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione?
The canonical SMILES for 1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione is COc1cccc2c(=O)oc3cccc(O)c3c(=O)c12.
What is the InChIKey of 1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione?
The InChIKey is RNUUBZYKNZUZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5/c1-19-10-6-2-4-8-12(10)14(17)13-9(16)5-3-7-11(13)20-15(8)18/h2-7,16H,1H3.
What are the key properties of 1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione?
1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione has a molecular weight of 270.24 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione is sourced from PubChem (CID 139586019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).