methyl 4-(methoxyphosphanylmethyl)benzoate

C10H13O3P — CID 142891840

IUPACmethyl 4-(methoxyphosphanylmethyl)benzoate
SMILESCOPCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C10H13O3P/c1-12-10(11)9-5-3-8(4-6-9)7-14-13-2/h3-6,14H,7H2,1-2H3
InChIKeyYKCOWQZYVLVREW-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.21
Rot. Bonds4

About methyl 4-(methoxyphosphanylmethyl)benzoate

methyl 4-(methoxyphosphanylmethyl)benzoate (PubChem CID 142891840) has the molecular formula C10H13O3P and a molecular weight of 212.19 g/mol. Its IUPAC name is methyl 4-(methoxyphosphanylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(methoxyphosphanylmethyl)benzoate
PubChem CID142891840
Molecular FormulaC10H13O3P
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Namemethyl 4-(methoxyphosphanylmethyl)benzoate
SMILESCOPCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C10H13O3P/c1-12-10(11)9-5-3-8(4-6-9)7-14-13-2/h3-6,14H,7H2,1-2H3
InChIKeyYKCOWQZYVLVREW-UHFFFAOYSA-N
XLogP2.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.21
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

methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
methyl 4-[(4-aminophenyl)methyl]benzoate
CID 68972848
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
2-(4-methoxycarbonylphenyl)acetic acid
CID 10797879
methyl 4-(aminomethyl)benzoate;molecular hydrogen
CID 143345470
2-[(4-methoxycarbonylphenyl)methyl]prop-2-enoic acid
CID 57123056
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
ethanol;methyl 4-(chloromethyl)benzoate
CID 175390968
3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
3-(4-methoxycarbonylphenyl)-2-oxopropanoic acid
CID 15044862
methyl 4-[4-(aminomethyl)phenoxy]benzoate;hydrochloride
CID 155817718
methyl 4-[(chloroamino)oxymethyl]benzoate
CID 88567653

Frequently Asked Questions

What is the IUPAC name of methyl 4-(methoxyphosphanylmethyl)benzoate?
The IUPAC name of methyl 4-(methoxyphosphanylmethyl)benzoate (CID 142891840) is methyl 4-(methoxyphosphanylmethyl)benzoate.
What is the SMILES notation for methyl 4-(methoxyphosphanylmethyl)benzoate?
The canonical SMILES for methyl 4-(methoxyphosphanylmethyl)benzoate is COPCc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-(methoxyphosphanylmethyl)benzoate?
The InChIKey is YKCOWQZYVLVREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O3P/c1-12-10(11)9-5-3-8(4-6-9)7-14-13-2/h3-6,14H,7H2,1-2H3.
What are the key properties of methyl 4-(methoxyphosphanylmethyl)benzoate?
methyl 4-(methoxyphosphanylmethyl)benzoate has a molecular weight of 212.19 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methoxyphosphanylmethyl)benzoate is sourced from PubChem (CID 142891840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).