ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone

C11H17O2P — CID 142095957

IUPACethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone
SMILESCC.COc1ccc(C)cc1C(=O)P
InChIInChI=1S/C9H11O2P.C2H6/c1-6-3-4-8(11-2)7(5-6)9(10)12;1-2/h3-5H,12H2,1-2H3;1-2H3
InChIKeyVRRZVCYRBDMWGD-UHFFFAOYSA-N
MW212.23 g/mol
LogP3.05
Rot. Bonds2

About ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone

ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone (PubChem CID 142095957) has the molecular formula C11H17O2P and a molecular weight of 212.23 g/mol. Its IUPAC name is ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone.

Molecular Properties

Compound Nameethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone
PubChem CID142095957
Molecular FormulaC11H17O2P
Molecular Weight212.23 g/mol
Exact Mass212.10
IUPAC Nameethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone
SMILESCC.COc1ccc(C)cc1C(=O)P
InChIInChI=1S/C9H11O2P.C2H6/c1-6-3-4-8(11-2)7(5-6)9(10)12;1-2/h3-5H,12H2,1-2H3;1-2H3
InChIKeyVRRZVCYRBDMWGD-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dimethoxy-4-phosphanylcarbonylphenyl)-phosphanylmethanone
CID 70886468
3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 62796966
2-methoxy-N,5-dimethylbenzohydrazide
CID 116845575
2-methoxy-1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-1-one
CID 116709606
5-bromo-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 146007223
(1-hydroxycyclohexyl)-(2-methoxy-5-methylphenyl)methanone
CID 103449621
3-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopropanoic acid
CID 116918170
4-(2-methoxy-5-methylphenyl)-4-oxobut-2-enoic acid
CID 77055045
1-(2-methoxy-5-methylphenyl)pentane-1,4-dione
CID 94682943
2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 116708118
4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one
CID 115807525
2-bromo-1-(2-methoxy-5-methylphenyl)ethanone;methanamine;methane;methanedithione
CID 160540811

Frequently Asked Questions

What is the IUPAC name of ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone?
The IUPAC name of ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone (CID 142095957) is ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone.
What is the SMILES notation for ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone?
The canonical SMILES for ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone is CC.COc1ccc(C)cc1C(=O)P.
What is the InChIKey of ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone?
The InChIKey is VRRZVCYRBDMWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2P.C2H6/c1-6-3-4-8(11-2)7(5-6)9(10)12;1-2/h3-5H,12H2,1-2H3;1-2H3.
What are the key properties of ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone?
ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone has a molecular weight of 212.23 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone is sourced from PubChem (CID 142095957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).