2-(4-chlorophenoxy)propyl propanoate

C12H15ClO3 — CID 174445519

IUPAC2-(4-chlorophenoxy)propyl propanoate
SMILESCCC(=O)OCC(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO3/c1-3-12(14)15-8-9(2)16-11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3
InChIKeyYDRRYQLNCZYBMY-UHFFFAOYSA-N
MW242.70 g/mol
LogP3.06
Rot. Bonds5

About 2-(4-chlorophenoxy)propyl propanoate

2-(4-chlorophenoxy)propyl propanoate (PubChem CID 174445519) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)propyl propanoate.

Molecular Properties

Compound Name2-(4-chlorophenoxy)propyl propanoate
PubChem CID174445519
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name2-(4-chlorophenoxy)propyl propanoate
SMILESCCC(=O)OCC(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClO3/c1-3-12(14)15-8-9(2)16-11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3
InChIKeyYDRRYQLNCZYBMY-UHFFFAOYSA-N
XLogP3.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-chlorophenoxy)phenoxy]propyl acetate
CID 54569126
(4-chlorophenoxy)methyl propanoate
CID 174802053
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
2-[2-(4-chlorophenoxy)propoxyamino]prop-2-enoic acid
CID 57013683
4-(4-chlorophenoxy)pentan-2-one
CID 64698945
ethyl (2S,3R)-2-(4-chlorophenoxy)-3-hydroxybutanoate
CID 11436840
2-(4-chlorophenoxy)-2-[4-[2-(4-chlorophenoxy)propoxy]phenyl]acetic acid
CID 22761125
2-amino-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119335581
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
(2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide
CID 15239278
(4-propan-2-yloxyphenyl)methyl propanoate
CID 130434136
2-[4-(2-oxochromene-3-carbonyl)phenoxy]propyl propanoate
CID 175067132

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)propyl propanoate?
The IUPAC name of 2-(4-chlorophenoxy)propyl propanoate (CID 174445519) is 2-(4-chlorophenoxy)propyl propanoate.
What is the SMILES notation for 2-(4-chlorophenoxy)propyl propanoate?
The canonical SMILES for 2-(4-chlorophenoxy)propyl propanoate is CCC(=O)OCC(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)propyl propanoate?
The InChIKey is YDRRYQLNCZYBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-3-12(14)15-8-9(2)16-11-6-4-10(13)5-7-11/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)propyl propanoate?
2-(4-chlorophenoxy)propyl propanoate has a molecular weight of 242.70 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)propyl propanoate is sourced from PubChem (CID 174445519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).