2-hydroxybenzo[b]phenalen-7-one

C17H10O2 — CID 11242034

IUPAC2-hydroxybenzo[b]phenalen-7-one
SMILESO=C1c2ccccc2-c2cc(O)cc3cccc1c23
InChIInChI=1S/C17H10O2/c18-11-8-10-4-3-7-14-16(10)15(9-11)12-5-1-2-6-13(12)17(14)19/h1-9,18H
InChIKeyMGCJHKZGEWMKAY-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.76
Rot. Bonds

About 2-hydroxybenzo[b]phenalen-7-one

2-hydroxybenzo[b]phenalen-7-one (PubChem CID 11242034) has the molecular formula C17H10O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-hydroxybenzo[b]phenalen-7-one.

Molecular Properties

Compound Name2-hydroxybenzo[b]phenalen-7-one
PubChem CID11242034
Molecular FormulaC17H10O2
Molecular Weight246.27 g/mol
Exact Mass246.07
IUPAC Name2-hydroxybenzo[b]phenalen-7-one
SMILESO=C1c2ccccc2-c2cc(O)cc3cccc1c23
InChIInChI=1S/C17H10O2/c18-11-8-10-4-3-7-14-16(10)15(9-11)12-5-1-2-6-13(12)17(14)19/h1-9,18H
InChIKeyMGCJHKZGEWMKAY-UHFFFAOYSA-N
XLogP3.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
benzo[a]phenalen-7-one;ethane
CID 90765972
2-ethylbenzo[b]phenalen-7-one
CID 163449460
pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaen-5-ol
CID 10490347
2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione
CID 2876369
2-chloro-1-hydroxybenzo[b]phenalen-7-one
CID 139691775
2-hydroxyanthracene-9,10-dione
CID 11796
5,6-dihydroxybenzo[a]phenalen-7-one
CID 90474033
anthracene-9,10-dione;benzene-1,4-diol
CID 70474233
benzo[a]phenalen-7-one;2-[bis(2-hydroxyethyl)amino]ethanol
CID 70501506
1,2-dichlorobenzo[b]phenalen-7-one
CID 20841807
14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
CID 824419

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzo[b]phenalen-7-one?
The IUPAC name of 2-hydroxybenzo[b]phenalen-7-one (CID 11242034) is 2-hydroxybenzo[b]phenalen-7-one.
What is the SMILES notation for 2-hydroxybenzo[b]phenalen-7-one?
The canonical SMILES for 2-hydroxybenzo[b]phenalen-7-one is O=C1c2ccccc2-c2cc(O)cc3cccc1c23.
What is the InChIKey of 2-hydroxybenzo[b]phenalen-7-one?
The InChIKey is MGCJHKZGEWMKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O2/c18-11-8-10-4-3-7-14-16(10)15(9-11)12-5-1-2-6-13(12)17(14)19/h1-9,18H.
What are the key properties of 2-hydroxybenzo[b]phenalen-7-one?
2-hydroxybenzo[b]phenalen-7-one has a molecular weight of 246.27 g/mol, XLogP of 3.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzo[b]phenalen-7-one is sourced from PubChem (CID 11242034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).