(3-methoxy-4-propoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate

C15H18Cl2O4 — CID 78840809

IUPAC(3-methoxy-4-propoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate
SMILESCCCOc1ccc(COC(=O)C2CC2(Cl)Cl)cc1OC
InChIInChI=1S/C15H18Cl2O4/c1-3-6-20-12-5-4-10(7-13(12)19-2)9-21-14(18)11-8-15(11,16)17/h4-5,7,11H,3,6,8-9H2,1-2H3
InChIKeyAVTYIPLFOMOOHC-UHFFFAOYSA-N
MW333.21 g/mol
LogP3.72
Rot. Bonds7

About (3-methoxy-4-propoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate

(3-methoxy-4-propoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate (PubChem CID 78840809) has the molecular formula C15H18Cl2O4 and a molecular weight of 333.21 g/mol. Its IUPAC name is (3-methoxy-4-propoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate.

Molecular Properties

Compound Name(3-methoxy-4-propoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate
PubChem CID78840809
Molecular FormulaC15H18Cl2O4
Molecular Weight333.21 g/mol
Exact Mass332.06
IUPAC Name(3-methoxy-4-propoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate
SMILESCCCOc1ccc(COC(=O)C2CC2(Cl)Cl)cc1OC
InChIInChI=1S/C15H18Cl2O4/c1-3-6-20-12-5-4-10(7-13(12)19-2)9-21-14(18)11-8-15(11,16)17/h4-5,7,11H,3,6,8-9H2,1-2H3
InChIKeyAVTYIPLFOMOOHC-UHFFFAOYSA-N
XLogP3.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-[(3-methoxy-4-propoxyphenyl)methyl]hydroxylamine
CID 71207187
(3-methoxy-4-propoxyphenyl)methyl 4-(methoxymethyl)benzoate
CID 78791179
(3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate
CID 78837283
(3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate
CID 167764210
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83938540
1-[(3-methoxy-4-propoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 122040395
3-bromo-N-[(3-methoxy-4-propoxyphenyl)methyl]adamantane-1-carboxamide
CID 55632666
(4-ethoxy-3-methoxyphenyl)methyl hexanoate
CID 78841902
(4-ethoxy-3-methoxyphenyl)methyl 2-methylpentanoate
CID 78790842
(3-methoxy-4-propoxyphenyl)methyl thiocyanate
CID 142224175
(2R)-2-amino-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-3-methyl-3-methylsulfanylbutanamide
CID 162629982

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-propoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate?
The IUPAC name of (3-methoxy-4-propoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate (CID 78840809) is (3-methoxy-4-propoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate.
What is the SMILES notation for (3-methoxy-4-propoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate?
The canonical SMILES for (3-methoxy-4-propoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate is CCCOc1ccc(COC(=O)C2CC2(Cl)Cl)cc1OC.
What is the InChIKey of (3-methoxy-4-propoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate?
The InChIKey is AVTYIPLFOMOOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2O4/c1-3-6-20-12-5-4-10(7-13(12)19-2)9-21-14(18)11-8-15(11,16)17/h4-5,7,11H,3,6,8-9H2,1-2H3.
What are the key properties of (3-methoxy-4-propoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate?
(3-methoxy-4-propoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate has a molecular weight of 333.21 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-propoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate is sourced from PubChem (CID 78840809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).