8-hydroxybenzo[b]xanthen-12-one

C17H10O3 — CID 135167525

IUPAC8-hydroxybenzo[b]xanthen-12-one
SMILESO=c1c2ccccc2oc2cc3cc(O)ccc3cc12
InChIInChI=1S/C17H10O3/c18-12-6-5-10-8-14-16(9-11(10)7-12)20-15-4-2-1-3-13(15)17(14)19/h1-9,18H
InChIKeyMCMBVTFXMWJUGB-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.81
Rot. Bonds

About 8-hydroxybenzo[b]xanthen-12-one

8-hydroxybenzo[b]xanthen-12-one (PubChem CID 135167525) has the molecular formula C17H10O3 and a molecular weight of 262.26 g/mol. Its IUPAC name is 8-hydroxybenzo[b]xanthen-12-one.

Molecular Properties

Compound Name8-hydroxybenzo[b]xanthen-12-one
PubChem CID135167525
Molecular FormulaC17H10O3
Molecular Weight262.26 g/mol
Exact Mass262.06
IUPAC Name8-hydroxybenzo[b]xanthen-12-one
SMILESO=c1c2ccccc2oc2cc3cc(O)ccc3cc12
InChIInChI=1S/C17H10O3/c18-12-6-5-10-8-14-16(9-11(10)7-12)20-15-4-2-1-3-13(15)17(14)19/h1-9,18H
InChIKeyMCMBVTFXMWJUGB-UHFFFAOYSA-N
XLogP3.81
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

8,9-difluorobenzo[b]xanthen-12-one
CID 135167539
14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,22-diol
CID 144582613
2,3-bis(4-hydroxyphenyl)xanthen-9-one
CID 52942637
3-chloro-2-hydroxyxanthen-9-one
CID 15617016
2-chloro-3-hydroxyxanthen-9-one
CID 14663247
3-[2-(4-hydroxyphenyl)ethenyl]xanthen-9-one
CID 174928168
2,3,7-trihydroxyxanthen-9-one
CID 14528805
2,9-difluorobenzo[b]xanthen-12-one
CID 135167571
8-bromonaphtho[2,3-b][1]benzofuran
CID 154948063
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
ethyl propanoate;3-hydroxyxanthen-9-one
CID 174285230
2,3-dihydro-[1,4]benzodioxino[8,7-b]xanthen-13-one
CID 135167543

Frequently Asked Questions

What is the IUPAC name of 8-hydroxybenzo[b]xanthen-12-one?
The IUPAC name of 8-hydroxybenzo[b]xanthen-12-one (CID 135167525) is 8-hydroxybenzo[b]xanthen-12-one.
What is the SMILES notation for 8-hydroxybenzo[b]xanthen-12-one?
The canonical SMILES for 8-hydroxybenzo[b]xanthen-12-one is O=c1c2ccccc2oc2cc3cc(O)ccc3cc12.
What is the InChIKey of 8-hydroxybenzo[b]xanthen-12-one?
The InChIKey is MCMBVTFXMWJUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O3/c18-12-6-5-10-8-14-16(9-11(10)7-12)20-15-4-2-1-3-13(15)17(14)19/h1-9,18H.
What are the key properties of 8-hydroxybenzo[b]xanthen-12-one?
8-hydroxybenzo[b]xanthen-12-one has a molecular weight of 262.26 g/mol, XLogP of 3.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxybenzo[b]xanthen-12-one is sourced from PubChem (CID 135167525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).