(4-methoxy-3,5-dimethylphenyl)methyl carbonochloridate

C11H13ClO3 — CID 83823720

IUPAC(4-methoxy-3,5-dimethylphenyl)methyl carbonochloridate
SMILESCOc1c(C)cc(COC(=O)Cl)cc1C
InChIInChI=1S/C11H13ClO3/c1-7-4-9(6-15-11(12)13)5-8(2)10(7)14-3/h4-5H,6H2,1-3H3
InChIKeyMIEHQKCETLCUMO-UHFFFAOYSA-N
MW228.67 g/mol
LogP3.19
Rot. Bonds3

About (4-methoxy-3,5-dimethylphenyl)methyl carbonochloridate

(4-methoxy-3,5-dimethylphenyl)methyl carbonochloridate (PubChem CID 83823720) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is (4-methoxy-3,5-dimethylphenyl)methyl carbonochloridate.

Molecular Properties

Compound Name(4-methoxy-3,5-dimethylphenyl)methyl carbonochloridate
PubChem CID83823720
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name(4-methoxy-3,5-dimethylphenyl)methyl carbonochloridate
SMILESCOc1c(C)cc(COC(=O)Cl)cc1C
InChIInChI=1S/C11H13ClO3/c1-7-4-9(6-15-11(12)13)5-8(2)10(7)14-3/h4-5H,6H2,1-3H3
InChIKeyMIEHQKCETLCUMO-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethylphenyl)methyl carbonochloridate
CID 13305535
ethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine
CID 154695651
2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844882
2-(4-methoxy-3,5-dimethylphenyl)ethylurea
CID 115168574
N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
CID 110832932
4-methoxy-3,5-dimethylphenol
CID 643378
2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990
2-(3,4-dimethoxy-5-methylphenyl)acetic acid
CID 70527445
3-amino-4-[(4-methoxy-3,5-dimethylphenyl)methylamino]butanoic acid
CID 115241716
3-amino-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115192837
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine
CID 82606327
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea
CID 115169183

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3,5-dimethylphenyl)methyl carbonochloridate?
The IUPAC name of (4-methoxy-3,5-dimethylphenyl)methyl carbonochloridate (CID 83823720) is (4-methoxy-3,5-dimethylphenyl)methyl carbonochloridate.
What is the SMILES notation for (4-methoxy-3,5-dimethylphenyl)methyl carbonochloridate?
The canonical SMILES for (4-methoxy-3,5-dimethylphenyl)methyl carbonochloridate is COc1c(C)cc(COC(=O)Cl)cc1C.
What is the InChIKey of (4-methoxy-3,5-dimethylphenyl)methyl carbonochloridate?
The InChIKey is MIEHQKCETLCUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-7-4-9(6-15-11(12)13)5-8(2)10(7)14-3/h4-5H,6H2,1-3H3.
What are the key properties of (4-methoxy-3,5-dimethylphenyl)methyl carbonochloridate?
(4-methoxy-3,5-dimethylphenyl)methyl carbonochloridate has a molecular weight of 228.67 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3,5-dimethylphenyl)methyl carbonochloridate is sourced from PubChem (CID 83823720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).