1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butan-1-ol

C16H17O3P — CID 14686888

IUPAC1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butan-1-ol
SMILESCCCC(O)P1(=O)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C16H17O3P/c1-2-7-16(17)20(18)15-11-6-4-9-13(15)12-8-3-5-10-14(12)19-20/h3-6,8-11,16-17H,2,7H2,1H3
InChIKeyGWHDSRNKTCPWDJ-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.77
Rot. Bonds3

About 1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butan-1-ol

1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butan-1-ol (PubChem CID 14686888) has the molecular formula C16H17O3P and a molecular weight of 288.28 g/mol. Its IUPAC name is 1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butan-1-ol.

Molecular Properties

Compound Name1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butan-1-ol
PubChem CID14686888
Molecular FormulaC16H17O3P
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butan-1-ol
SMILESCCCC(O)P1(=O)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C16H17O3P/c1-2-7-16(17)20(18)15-11-6-4-9-13(15)12-8-3-5-10-14(12)19-20/h3-6,8-11,16-17H,2,7H2,1H3
InChIKeyGWHDSRNKTCPWDJ-UHFFFAOYSA-N
XLogP3.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 53.77
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

Bis(isopropylphenyl) phenyl phosphate
CID 34149
Isopropylphenyl diphenyl phosphate
CID 34148
Cresyl saligenin phosphate
CID 104993
Butylated triphenyl phosphate
CID 5489265
6H-Dibenz[c,e][1,2]oxaphosphorin-6-propanoic acid, butyl ester, 6-oxide
CID 102209257
4H-1,3,2-Benzodioxaphosphorin, 2-phenoxy-, 2-oxide
CID 104885
2-[(Diphenylphosphoryl)oxy]benzylphosphonic acid
CID 3241949
Phenol, octyl-, hydrogen phosphate
CID 13652419
10-(2,5-Dihydroxyphenyl)-10H-9-oxa-10-phospha-phenantbrene-10-oxide
CID 13750322
Diphenoxyphosphoryl-(4-methylphenyl)methanol
CID 3300162
sodium [(E)-5-hydroxy-4-methylpent-3-enyl]-naphthalen-1-yloxyphosphinate
CID 145971930
Diphenyl (hydroxy(phenyl)methyl)phosphonate
CID 277714

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butan-1-ol?
The IUPAC name of 1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butan-1-ol (CID 14686888) is 1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butan-1-ol.
What is the SMILES notation for 1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butan-1-ol?
The canonical SMILES for 1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butan-1-ol is CCCC(O)P1(=O)Oc2ccccc2-c2ccccc21.
What is the InChIKey of 1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butan-1-ol?
The InChIKey is GWHDSRNKTCPWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O3P/c1-2-7-16(17)20(18)15-11-6-4-9-13(15)12-8-3-5-10-14(12)19-20/h3-6,8-11,16-17H,2,7H2,1H3.
What are the key properties of 1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butan-1-ol?
1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butan-1-ol has a molecular weight of 288.28 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)butan-1-ol is sourced from PubChem (CID 14686888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).