(3-chlorophenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol

C19H14ClO3P — CID 14686914

IUPAC(3-chlorophenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol
SMILESO=P1(C(O)c2cccc(Cl)c2)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C19H14ClO3P/c20-14-7-5-6-13(12-14)19(21)24(22)18-11-4-2-9-16(18)15-8-1-3-10-17(15)23-24/h1-12,19,21H
InChIKeyJMMQLJBTECAJAC-UHFFFAOYSA-N
MW356.75 g/mol
LogP4.99
Rot. Bonds2

About (3-chlorophenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol

(3-chlorophenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol (PubChem CID 14686914) has the molecular formula C19H14ClO3P and a molecular weight of 356.75 g/mol. Its IUPAC name is (3-chlorophenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol.

Molecular Properties

Compound Name(3-chlorophenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol
PubChem CID14686914
Molecular FormulaC19H14ClO3P
Molecular Weight356.75 g/mol
Exact Mass356.04
IUPAC Name(3-chlorophenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol
SMILESO=P1(C(O)c2cccc(Cl)c2)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C19H14ClO3P/c20-14-7-5-6-13(12-14)19(21)24(22)18-11-4-2-9-16(18)15-8-1-3-10-17(15)23-24/h1-12,19,21H
InChIKeyJMMQLJBTECAJAC-UHFFFAOYSA-N
XLogP4.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.75
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)propane-1,2-diol
CID 20662894
(3-chlorophenyl)methanediol
CID 20679602
1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]phenyl]pyrrole-2,5-dione
CID 22966632
6-[2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 122684857
[(3-chlorophenyl)-hydroxymethyl]phosphonic acid
CID 24866948
(2-chloro-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-(2,4,6-trimethylphenyl)methanone
CID 14366299
(3-chlorophenyl)-fluoromethanol
CID 70239224
(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)chloranium
CID 163915272
(2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde
CID 140582980
(3-chlorophenyl)-(10,10-dioxophenoxathiin-1-yl)methanol
CID 11793692
6-[[4-(oxiran-2-ylmethoxy)phenyl]-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 129290034
2-[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]butanedioic acid
CID 6454648

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol?
The IUPAC name of (3-chlorophenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol (CID 14686914) is (3-chlorophenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol.
What is the SMILES notation for (3-chlorophenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol?
The canonical SMILES for (3-chlorophenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol is O=P1(C(O)c2cccc(Cl)c2)Oc2ccccc2-c2ccccc21.
What is the InChIKey of (3-chlorophenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol?
The InChIKey is JMMQLJBTECAJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClO3P/c20-14-7-5-6-13(12-14)19(21)24(22)18-11-4-2-9-16(18)15-8-1-3-10-17(15)23-24/h1-12,19,21H.
What are the key properties of (3-chlorophenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol?
(3-chlorophenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol has a molecular weight of 356.75 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methanol is sourced from PubChem (CID 14686914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).