[3-(4-methylphenyl)oxiran-2-yl]methylphosphane

C10H13OP — CID 123541093

IUPAC[3-(4-methylphenyl)oxiran-2-yl]methylphosphane
SMILESCc1ccc(C2OC2CP)cc1
InChIInChI=1S/C10H13OP/c1-7-2-4-8(5-3-7)10-9(6-12)11-10/h2-5,9-10H,6,12H2,1H3
InChIKeyPAZJHBXSAKQQPL-UHFFFAOYSA-N
MW180.19 g/mol
LogP2.31
Rot. Bonds2

About [3-(4-methylphenyl)oxiran-2-yl]methylphosphane

[3-(4-methylphenyl)oxiran-2-yl]methylphosphane (PubChem CID 123541093) has the molecular formula C10H13OP and a molecular weight of 180.19 g/mol. Its IUPAC name is [3-(4-methylphenyl)oxiran-2-yl]methylphosphane.

Molecular Properties

Compound Name[3-(4-methylphenyl)oxiran-2-yl]methylphosphane
PubChem CID123541093
Molecular FormulaC10H13OP
Molecular Weight180.19 g/mol
Exact Mass180.07
IUPAC Name[3-(4-methylphenyl)oxiran-2-yl]methylphosphane
SMILESCc1ccc(C2OC2CP)cc1
InChIInChI=1S/C10H13OP/c1-7-2-4-8(5-3-7)10-9(6-12)11-10/h2-5,9-10H,6,12H2,1H3
InChIKeyPAZJHBXSAKQQPL-UHFFFAOYSA-N
XLogP2.31
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-3-phenyloxirane
CID 602487
(2S,3S)-2-[3,5-dimethyl-2-methylidene-6-[[(2S,3S)-3-(4-methylphenyl)oxiran-2-yl]methyl]hept-6-enyl]-3-(4-methylphenyl)oxirane
CID 11395937
3,4,5-trimethoxy-2-(methoxymethyl)-6-(4-methylphenyl)oxane
CID 59847084
2-(4-methylphenyl)-3-propan-2-yloxirane
CID 147832404
[4-[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]phenyl] 4-methylbenzenesulfonate
CID 54756706
(4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one
CID 177461861
(2R,4R,5S,6R)-2,4,5-trimethyl-6-(4-methylphenyl)-1,3-dioxane
CID 13179340
3-(4-methylphenyl)oxirane-2-carboxylic acid
CID 15225103
2-(4-chlorophenyl)-3-propyloxirane
CID 85290770
(2R,3R)-3-(4-methylphenyl)oxirane-2-carboxamide
CID 135544950
(2S,3S)-2-[(3,5-dimethylphenoxy)methyl]-3-phenyloxirane
CID 132544349
(4-methylphenyl)-[(2R,3R)-3-(4-methylphenyl)oxiran-2-yl]methanone
CID 135933564

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)oxiran-2-yl]methylphosphane?
The IUPAC name of [3-(4-methylphenyl)oxiran-2-yl]methylphosphane (CID 123541093) is [3-(4-methylphenyl)oxiran-2-yl]methylphosphane.
What is the SMILES notation for [3-(4-methylphenyl)oxiran-2-yl]methylphosphane?
The canonical SMILES for [3-(4-methylphenyl)oxiran-2-yl]methylphosphane is Cc1ccc(C2OC2CP)cc1.
What is the InChIKey of [3-(4-methylphenyl)oxiran-2-yl]methylphosphane?
The InChIKey is PAZJHBXSAKQQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13OP/c1-7-2-4-8(5-3-7)10-9(6-12)11-10/h2-5,9-10H,6,12H2,1H3.
What are the key properties of [3-(4-methylphenyl)oxiran-2-yl]methylphosphane?
[3-(4-methylphenyl)oxiran-2-yl]methylphosphane has a molecular weight of 180.19 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)oxiran-2-yl]methylphosphane is sourced from PubChem (CID 123541093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).