(3-ethylphenyl)-(2,3,4-trimethylphenyl)methanone;phosphenous acid

C18H21O3P — CID 130476140

IUPAC(3-ethylphenyl)-(2,3,4-trimethylphenyl)methanone;phosphenous acid
SMILESCCc1cccc(C(=O)c2ccc(C)c(C)c2C)c1.O=PO
InChIInChI=1S/C18H20O.HO2P/c1-5-15-7-6-8-16(11-15)18(19)17-10-9-12(2)13(3)14(17)4;1-3-2/h6-11H,5H2,1-4H3;(H,1,2)
InChIKeyPRWIVYHJGKNFLW-UHFFFAOYSA-N
MW316.34 g/mol
LogP4.59
Rot. Bonds3

About (3-ethylphenyl)-(2,3,4-trimethylphenyl)methanone;phosphenous acid

(3-ethylphenyl)-(2,3,4-trimethylphenyl)methanone;phosphenous acid (PubChem CID 130476140) has the molecular formula C18H21O3P and a molecular weight of 316.34 g/mol. Its IUPAC name is (3-ethylphenyl)-(2,3,4-trimethylphenyl)methanone;phosphenous acid.

Molecular Properties

Compound Name(3-ethylphenyl)-(2,3,4-trimethylphenyl)methanone;phosphenous acid
PubChem CID130476140
Molecular FormulaC18H21O3P
Molecular Weight316.34 g/mol
Exact Mass316.12
IUPAC Name(3-ethylphenyl)-(2,3,4-trimethylphenyl)methanone;phosphenous acid
SMILESCCc1cccc(C(=O)c2ccc(C)c(C)c2C)c1.O=PO
InChIInChI=1S/C18H20O.HO2P/c1-5-15-7-6-8-16(11-15)18(19)17-10-9-12(2)13(3)14(17)4;1-3-2/h6-11H,5H2,1-4H3;(H,1,2)
InChIKeyPRWIVYHJGKNFLW-UHFFFAOYSA-N
XLogP4.59
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 54.59
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

(3-ethylphenyl)-(4-methyl-3-pyridinyl)methanone
CID 114877566
(3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone
CID 115481860
(2-bromofuran-3-yl)-(3-ethylphenyl)methanone
CID 106856734
3-ethyl-N-methylbenzamide
CID 59115297
(4-aminophenyl)-(3-ethylphenyl)methanone
CID 116548793
(3,5-dichlorophenyl)-(3-ethylphenyl)methanone
CID 115788788
3-ethylbenzoic acid;propane
CID 177324794
(3-ethylphenyl)-(5-methyl-3-pyridinyl)methanone
CID 105120270
ethane;1-(3-ethylphenyl)propan-1-one
CID 142830478
sulfanyl 3-ethylbenzoate
CID 89208053
chloro 3-ethylbenzoate
CID 142246460
pyridin-4-yl-(2,3,4-trimethylphenyl)methanone
CID 157331171

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl)-(2,3,4-trimethylphenyl)methanone;phosphenous acid?
The IUPAC name of (3-ethylphenyl)-(2,3,4-trimethylphenyl)methanone;phosphenous acid (CID 130476140) is (3-ethylphenyl)-(2,3,4-trimethylphenyl)methanone;phosphenous acid.
What is the SMILES notation for (3-ethylphenyl)-(2,3,4-trimethylphenyl)methanone;phosphenous acid?
The canonical SMILES for (3-ethylphenyl)-(2,3,4-trimethylphenyl)methanone;phosphenous acid is CCc1cccc(C(=O)c2ccc(C)c(C)c2C)c1.O=PO.
What is the InChIKey of (3-ethylphenyl)-(2,3,4-trimethylphenyl)methanone;phosphenous acid?
The InChIKey is PRWIVYHJGKNFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O.HO2P/c1-5-15-7-6-8-16(11-15)18(19)17-10-9-12(2)13(3)14(17)4;1-3-2/h6-11H,5H2,1-4H3;(H,1,2).
What are the key properties of (3-ethylphenyl)-(2,3,4-trimethylphenyl)methanone;phosphenous acid?
(3-ethylphenyl)-(2,3,4-trimethylphenyl)methanone;phosphenous acid has a molecular weight of 316.34 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl)-(2,3,4-trimethylphenyl)methanone;phosphenous acid is sourced from PubChem (CID 130476140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).