(2,3-diethylphenyl)-phenylmethanone;phosphenous acid

C17H19O3P — CID 174596350

IUPAC(2,3-diethylphenyl)-phenylmethanone;phosphenous acid
SMILESCCc1cccc(C(=O)c2ccccc2)c1CC.O=PO
InChIInChI=1S/C17H18O.HO2P/c1-3-13-11-8-12-16(15(13)4-2)17(18)14-9-6-5-7-10-14;1-3-2/h5-12H,3-4H2,1-2H3;(H,1,2)
InChIKeyAOKMRTGCBVSCMG-UHFFFAOYSA-N
MW302.31 g/mol
LogP4.23
Rot. Bonds4

About (2,3-diethylphenyl)-phenylmethanone;phosphenous acid

(2,3-diethylphenyl)-phenylmethanone;phosphenous acid (PubChem CID 174596350) has the molecular formula C17H19O3P and a molecular weight of 302.31 g/mol. Its IUPAC name is (2,3-diethylphenyl)-phenylmethanone;phosphenous acid.

Molecular Properties

Compound Name(2,3-diethylphenyl)-phenylmethanone;phosphenous acid
PubChem CID174596350
Molecular FormulaC17H19O3P
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name(2,3-diethylphenyl)-phenylmethanone;phosphenous acid
SMILESCCc1cccc(C(=O)c2ccccc2)c1CC.O=PO
InChIInChI=1S/C17H18O.HO2P/c1-3-13-11-8-12-16(15(13)4-2)17(18)14-9-6-5-7-10-14;1-3-2/h5-12H,3-4H2,1-2H3;(H,1,2)
InChIKeyAOKMRTGCBVSCMG-UHFFFAOYSA-N
XLogP4.23
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
(2,3-dipropylphenyl)-phenylmethanone
CID 23045952
1,2-diethyl-3-(1-phenylethenyl)benzene
CID 18968379
(2-benzoyl-3,4-diethylphenyl)-phenylmethanone
CID 175879744
2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid
CID 175134431
[2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone
CID 174908112
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
diphenylmethanone;(2-ethylbenzoyl)phosphonic acid
CID 175203276
2,3-diethylbenzamide;hydrofluoride
CID 175203586
phenyl-(2-tridecylphenyl)methanone
CID 159151783
bis(2-ethyl-3-hydroxyphenyl)methanone
CID 154331637
2-ethyl-3-(hydroxymethyl)benzoic acid
CID 141102852

Frequently Asked Questions

What is the IUPAC name of (2,3-diethylphenyl)-phenylmethanone;phosphenous acid?
The IUPAC name of (2,3-diethylphenyl)-phenylmethanone;phosphenous acid (CID 174596350) is (2,3-diethylphenyl)-phenylmethanone;phosphenous acid.
What is the SMILES notation for (2,3-diethylphenyl)-phenylmethanone;phosphenous acid?
The canonical SMILES for (2,3-diethylphenyl)-phenylmethanone;phosphenous acid is CCc1cccc(C(=O)c2ccccc2)c1CC.O=PO.
What is the InChIKey of (2,3-diethylphenyl)-phenylmethanone;phosphenous acid?
The InChIKey is AOKMRTGCBVSCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O.HO2P/c1-3-13-11-8-12-16(15(13)4-2)17(18)14-9-6-5-7-10-14;1-3-2/h5-12H,3-4H2,1-2H3;(H,1,2).
What are the key properties of (2,3-diethylphenyl)-phenylmethanone;phosphenous acid?
(2,3-diethylphenyl)-phenylmethanone;phosphenous acid has a molecular weight of 302.31 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diethylphenyl)-phenylmethanone;phosphenous acid is sourced from PubChem (CID 174596350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).