(4-methoxy-3-methylphenyl)methylphosphane

C9H13OP — CID 89138390

IUPAC(4-methoxy-3-methylphenyl)methylphosphane
SMILESCOc1ccc(CP)cc1C
InChIInChI=1S/C9H13OP/c1-7-5-8(6-11)3-4-9(7)10-2/h3-5H,6,11H2,1-2H3
InChIKeyBPRCNOYJXHYECZ-UHFFFAOYSA-N
MW168.18 g/mol
LogP2.38
Rot. Bonds2

About (4-methoxy-3-methylphenyl)methylphosphane

(4-methoxy-3-methylphenyl)methylphosphane (PubChem CID 89138390) has the molecular formula C9H13OP and a molecular weight of 168.18 g/mol. Its IUPAC name is (4-methoxy-3-methylphenyl)methylphosphane.

Molecular Properties

Compound Name(4-methoxy-3-methylphenyl)methylphosphane
PubChem CID89138390
Molecular FormulaC9H13OP
Molecular Weight168.18 g/mol
Exact Mass168.07
IUPAC Name(4-methoxy-3-methylphenyl)methylphosphane
SMILESCOc1ccc(CP)cc1C
InChIInChI=1S/C9H13OP/c1-7-5-8(6-11)3-4-9(7)10-2/h3-5H,6,11H2,1-2H3
InChIKeyBPRCNOYJXHYECZ-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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

(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033
4-(3-chloropropyl)-1-methoxy-2-methylbenzene
CID 116926643
1-(4-methoxy-3-methylphenyl)propane-2,2-diamine
CID 166666114
N-(methoxymethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 115258645
(4-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 82239883
(4-methoxy-3-methylphenyl)methanesulfonamide
CID 114999092
3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 83818376
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole
CID 82078786
ethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne
CID 142112207
5-(2-hydroxyethyl)-2-methoxyphenol;2-(4-methoxy-3-methylphenyl)ethanol
CID 167594575
1-chloro-3-(4-methoxy-3-methylphenyl)propan-2-one
CID 134627536

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylphenyl)methylphosphane?
The IUPAC name of (4-methoxy-3-methylphenyl)methylphosphane (CID 89138390) is (4-methoxy-3-methylphenyl)methylphosphane.
What is the SMILES notation for (4-methoxy-3-methylphenyl)methylphosphane?
The canonical SMILES for (4-methoxy-3-methylphenyl)methylphosphane is COc1ccc(CP)cc1C.
What is the InChIKey of (4-methoxy-3-methylphenyl)methylphosphane?
The InChIKey is BPRCNOYJXHYECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13OP/c1-7-5-8(6-11)3-4-9(7)10-2/h3-5H,6,11H2,1-2H3.
What are the key properties of (4-methoxy-3-methylphenyl)methylphosphane?
(4-methoxy-3-methylphenyl)methylphosphane has a molecular weight of 168.18 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methylphenyl)methylphosphane is sourced from PubChem (CID 89138390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).