(2-methoxy-4-methylphenyl)-methylphosphane

C9H13OP — CID 142090054

IUPAC(2-methoxy-4-methylphenyl)-methylphosphane
SMILESCOc1cc(C)ccc1PC
InChIInChI=1S/C9H13OP/c1-7-4-5-9(11-3)8(6-7)10-2/h4-6,11H,1-3H3
InChIKeyXRURGDKNYIJKQE-UHFFFAOYSA-N
MW168.18 g/mol
LogP1.94
Rot. Bonds2

About (2-methoxy-4-methylphenyl)-methylphosphane

(2-methoxy-4-methylphenyl)-methylphosphane (PubChem CID 142090054) has the molecular formula C9H13OP and a molecular weight of 168.18 g/mol. Its IUPAC name is (2-methoxy-4-methylphenyl)-methylphosphane.

Molecular Properties

Compound Name(2-methoxy-4-methylphenyl)-methylphosphane
PubChem CID142090054
Molecular FormulaC9H13OP
Molecular Weight168.18 g/mol
Exact Mass168.07
IUPAC Name(2-methoxy-4-methylphenyl)-methylphosphane
SMILESCOc1cc(C)ccc1PC
InChIInChI=1S/C9H13OP/c1-7-4-5-9(11-3)8(6-7)10-2/h4-6,11H,1-3H3
InChIKeyXRURGDKNYIJKQE-UHFFFAOYSA-N
XLogP1.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 131844912
CID 131844912
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
2-methoxy-1,4,6-trimethylnaphthalene
CID 23166352
sodium;hydride;2-methoxy-4-methylphenol
CID 174706082
S-(2-methoxy-4-methylphenyl)thiohydroxylamine
CID 142317823
CID 175002505
CID 175002505
1,3-dimethoxy-2,5-dimethylbenzene
CID 524839
2-methoxy-4-methyl-1-methylsulfonylbenzene
CID 23546847
1-methoxy-2,4-dimethylbenzene;propane
CID 54037455
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
1-(2-methoxy-4-methylphenyl)cyclopentan-1-amine
CID 82396221

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methylphenyl)-methylphosphane?
The IUPAC name of (2-methoxy-4-methylphenyl)-methylphosphane (CID 142090054) is (2-methoxy-4-methylphenyl)-methylphosphane.
What is the SMILES notation for (2-methoxy-4-methylphenyl)-methylphosphane?
The canonical SMILES for (2-methoxy-4-methylphenyl)-methylphosphane is COc1cc(C)ccc1PC.
What is the InChIKey of (2-methoxy-4-methylphenyl)-methylphosphane?
The InChIKey is XRURGDKNYIJKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13OP/c1-7-4-5-9(11-3)8(6-7)10-2/h4-6,11H,1-3H3.
What are the key properties of (2-methoxy-4-methylphenyl)-methylphosphane?
(2-methoxy-4-methylphenyl)-methylphosphane has a molecular weight of 168.18 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methylphenyl)-methylphosphane is sourced from PubChem (CID 142090054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).