1-ethoxy-2-phosphorosooxybenzene

C8H9O3P — CID 67079234

IUPAC1-ethoxy-2-phosphorosooxybenzene
SMILESCCOc1ccccc1OP=O
InChIInChI=1S/C8H9O3P/c1-2-10-7-5-3-4-6-8(7)11-12-9/h3-6H,2H2,1H3
InChIKeySQEUDNIVDJKMMJ-UHFFFAOYSA-N
MW184.13 g/mol
LogP2.67
Rot. Bonds4

About 1-ethoxy-2-phosphorosooxybenzene

1-ethoxy-2-phosphorosooxybenzene (PubChem CID 67079234) has the molecular formula C8H9O3P and a molecular weight of 184.13 g/mol. Its IUPAC name is 1-ethoxy-2-phosphorosooxybenzene.

Molecular Properties

Compound Name1-ethoxy-2-phosphorosooxybenzene
PubChem CID67079234
Molecular FormulaC8H9O3P
Molecular Weight184.13 g/mol
Exact Mass184.03
IUPAC Name1-ethoxy-2-phosphorosooxybenzene
SMILESCCOc1ccccc1OP=O
InChIInChI=1S/C8H9O3P/c1-2-10-7-5-3-4-6-8(7)11-12-9/h3-6H,2H2,1H3
InChIKeySQEUDNIVDJKMMJ-UHFFFAOYSA-N
XLogP2.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-(2-ethoxyphenyl)hydroxylamine
CID 70279336
CID 57470241
CID 57470241
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
(2-ethoxyphenyl)phosphane
CID 19813759
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
ethane;1-ethoxy-2-propoxybenzene;formic acid
CID 142473049
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
sodium 2-ethoxyphenolate
CID 23671657
(2-ethoxyphenyl) hex-3-ynoate
CID 118039851
bicyclo[4.1.0]hepta-1,3,5-trien-7-one;1,2-diethoxybenzene;N-methylidenehydroxylamine
CID 174482402

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-phosphorosooxybenzene?
The IUPAC name of 1-ethoxy-2-phosphorosooxybenzene (CID 67079234) is 1-ethoxy-2-phosphorosooxybenzene.
What is the SMILES notation for 1-ethoxy-2-phosphorosooxybenzene?
The canonical SMILES for 1-ethoxy-2-phosphorosooxybenzene is CCOc1ccccc1OP=O.
What is the InChIKey of 1-ethoxy-2-phosphorosooxybenzene?
The InChIKey is SQEUDNIVDJKMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O3P/c1-2-10-7-5-3-4-6-8(7)11-12-9/h3-6H,2H2,1H3.
What are the key properties of 1-ethoxy-2-phosphorosooxybenzene?
1-ethoxy-2-phosphorosooxybenzene has a molecular weight of 184.13 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-phosphorosooxybenzene is sourced from PubChem (CID 67079234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).