[2-(4-methoxyphenyl)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate

C14H14Cl2O4 — CID 2379090

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)cc1
InChIInChI=1S/C14H14Cl2O4/c1-13(8-14(13,15)16)12(18)20-7-11(17)9-3-5-10(19-2)6-4-9/h3-6H,7-8H2,1-2H3/t13-/m1/s1
InChIKeyXDLFPYSIDQWFAK-CYBMUJFWSA-N
MW317.17 g/mol
LogP3.01
Rot. Bonds5

About [2-(4-methoxyphenyl)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate

[2-(4-methoxyphenyl)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate (PubChem CID 2379090) has the molecular formula C14H14Cl2O4 and a molecular weight of 317.17 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
PubChem CID2379090
Molecular FormulaC14H14Cl2O4
Molecular Weight317.17 g/mol
Exact Mass316.03
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)cc1
InChIInChI=1S/C14H14Cl2O4/c1-13(8-14(13,15)16)12(18)20-7-11(17)9-3-5-10(19-2)6-4-9/h3-6H,7-8H2,1-2H3/t13-/m1/s1
InChIKeyXDLFPYSIDQWFAK-CYBMUJFWSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.01
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

(2-naphthalen-2-yl-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 17464453
[2-(3,4-dimethylphenyl)-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2349048
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 55319272
[2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate
CID 70980265
[2-(4-methoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661519
3-O-[2-(4-methoxyphenyl)-2-oxoethyl] 1-O-methyl 2-methylpropanedioate
CID 175383206
[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 902766
[2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate
CID 2287702
2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone
CID 82053413
methyl 3-[[2-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]oxyacetyl]amino]-4-methylbenzoate
CID 7863945
[2-(3,4-dimethoxyanilino)-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2619183
[2-(4-acetamidoanilino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 5217667

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate (CID 2379090) is [2-(4-methoxyphenyl)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate is COc1ccc(C(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate?
The InChIKey is XDLFPYSIDQWFAK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14Cl2O4/c1-13(8-14(13,15)16)12(18)20-7-11(17)9-3-5-10(19-2)6-4-9/h3-6H,7-8H2,1-2H3/t13-/m1/s1.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate?
[2-(4-methoxyphenyl)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate has a molecular weight of 317.17 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 2379090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).