2-chloro-1-hydroxybenzo[b]phenalen-7-one

C17H9ClO2 — CID 139691775

IUPAC2-chloro-1-hydroxybenzo[b]phenalen-7-one
SMILESO=C1c2ccccc2-c2c(O)c(Cl)cc3cccc1c23
InChIInChI=1S/C17H9ClO2/c18-13-8-9-4-3-7-12-14(9)15(17(13)20)10-5-1-2-6-11(10)16(12)19/h1-8,20H
InChIKeyTWNDBKYSPNMHJQ-UHFFFAOYSA-N
MW280.71 g/mol
LogP4.41
Rot. Bonds

About 2-chloro-1-hydroxybenzo[b]phenalen-7-one

2-chloro-1-hydroxybenzo[b]phenalen-7-one (PubChem CID 139691775) has the molecular formula C17H9ClO2 and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-chloro-1-hydroxybenzo[b]phenalen-7-one.

Molecular Properties

Compound Name2-chloro-1-hydroxybenzo[b]phenalen-7-one
PubChem CID139691775
Molecular FormulaC17H9ClO2
Molecular Weight280.71 g/mol
Exact Mass280.03
IUPAC Name2-chloro-1-hydroxybenzo[b]phenalen-7-one
SMILESO=C1c2ccccc2-c2c(O)c(Cl)cc3cccc1c23
InChIInChI=1S/C17H9ClO2/c18-13-8-9-4-3-7-12-14(9)15(17(13)20)10-5-1-2-6-11(10)16(12)19/h1-8,20H
InChIKeyTWNDBKYSPNMHJQ-UHFFFAOYSA-N
XLogP4.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-hydroxybenzo[b]phenalen-7-one?
The IUPAC name of 2-chloro-1-hydroxybenzo[b]phenalen-7-one (CID 139691775) is 2-chloro-1-hydroxybenzo[b]phenalen-7-one.
What is the SMILES notation for 2-chloro-1-hydroxybenzo[b]phenalen-7-one?
The canonical SMILES for 2-chloro-1-hydroxybenzo[b]phenalen-7-one is O=C1c2ccccc2-c2c(O)c(Cl)cc3cccc1c23.
What is the InChIKey of 2-chloro-1-hydroxybenzo[b]phenalen-7-one?
The InChIKey is TWNDBKYSPNMHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClO2/c18-13-8-9-4-3-7-12-14(9)15(17(13)20)10-5-1-2-6-11(10)16(12)19/h1-8,20H.
What are the key properties of 2-chloro-1-hydroxybenzo[b]phenalen-7-one?
2-chloro-1-hydroxybenzo[b]phenalen-7-one has a molecular weight of 280.71 g/mol, XLogP of 4.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-hydroxybenzo[b]phenalen-7-one is sourced from PubChem (CID 139691775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).