(2,6-dichlorophenyl) 2-(cyclopropylmethoxy)propanoate

C13H14Cl2O3 — CID 86847227

IUPAC(2,6-dichlorophenyl) 2-(cyclopropylmethoxy)propanoate
SMILESCC(OCC1CC1)C(=O)Oc1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2O3/c1-8(17-7-9-5-6-9)13(16)18-12-10(14)3-2-4-11(12)15/h2-4,8-9H,5-7H2,1H3
InChIKeyGFGNISQKMHIIEM-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.71
Rot. Bonds5

About (2,6-dichlorophenyl) 2-(cyclopropylmethoxy)propanoate

(2,6-dichlorophenyl) 2-(cyclopropylmethoxy)propanoate (PubChem CID 86847227) has the molecular formula C13H14Cl2O3 and a molecular weight of 289.16 g/mol. Its IUPAC name is (2,6-dichlorophenyl) 2-(cyclopropylmethoxy)propanoate.

Molecular Properties

Compound Name(2,6-dichlorophenyl) 2-(cyclopropylmethoxy)propanoate
PubChem CID86847227
Molecular FormulaC13H14Cl2O3
Molecular Weight289.16 g/mol
Exact Mass288.03
IUPAC Name(2,6-dichlorophenyl) 2-(cyclopropylmethoxy)propanoate
SMILESCC(OCC1CC1)C(=O)Oc1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2O3/c1-8(17-7-9-5-6-9)13(16)18-12-10(14)3-2-4-11(12)15/h2-4,8-9H,5-7H2,1H3
InChIKeyGFGNISQKMHIIEM-UHFFFAOYSA-N
XLogP3.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-carbamoylphenyl) (2R)-2-(cyclopropylmethoxy)propanoate
CID 94201532
2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117390072
1-[3-chloro-2-(cyclopropylmethoxy)phenyl]ethanone
CID 84689440
N-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide
CID 62382552
2-[2-[[(2R)-2-(cyclopropylmethoxy)propanoyl]oxymethyl]phenyl]ethyl (2S)-2-(cyclopropylmethoxy)propanoate
CID 97254404
(2S)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(cyclopropylmethoxy)propanamide
CID 94809553
1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one
CID 43798313
2-(cyclobutylmethoxy)propanamide
CID 164935394
(2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide
CID 99776072
3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine
CID 117387783
3-chloro-2-(cyclobutylmethoxy)benzoic acid
CID 112611920
2-(cyclopropylmethoxy)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 48530161

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl) 2-(cyclopropylmethoxy)propanoate?
The IUPAC name of (2,6-dichlorophenyl) 2-(cyclopropylmethoxy)propanoate (CID 86847227) is (2,6-dichlorophenyl) 2-(cyclopropylmethoxy)propanoate.
What is the SMILES notation for (2,6-dichlorophenyl) 2-(cyclopropylmethoxy)propanoate?
The canonical SMILES for (2,6-dichlorophenyl) 2-(cyclopropylmethoxy)propanoate is CC(OCC1CC1)C(=O)Oc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl) 2-(cyclopropylmethoxy)propanoate?
The InChIKey is GFGNISQKMHIIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2O3/c1-8(17-7-9-5-6-9)13(16)18-12-10(14)3-2-4-11(12)15/h2-4,8-9H,5-7H2,1H3.
What are the key properties of (2,6-dichlorophenyl) 2-(cyclopropylmethoxy)propanoate?
(2,6-dichlorophenyl) 2-(cyclopropylmethoxy)propanoate has a molecular weight of 289.16 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl) 2-(cyclopropylmethoxy)propanoate is sourced from PubChem (CID 86847227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).