[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(4-chlorophenoxy)propanoate

C15H17ClO5 — CID 15864456

IUPAC[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(4-chlorophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)O[C@H]1C(=O)OCC1(C)C
InChIInChI=1S/C15H17ClO5/c1-9(20-11-6-4-10(16)5-7-11)13(17)21-12-14(18)19-8-15(12,2)3/h4-7,9,12H,8H2,1-3H3/t9-,12+/m1/s1
InChIKeyBBSGUTJLAJARQH-SKDRFNHKSA-N
MW312.75 g/mol
LogP2.60
Rot. Bonds4

About [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(4-chlorophenoxy)propanoate

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(4-chlorophenoxy)propanoate (PubChem CID 15864456) has the molecular formula C15H17ClO5 and a molecular weight of 312.75 g/mol. Its IUPAC name is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(4-chlorophenoxy)propanoate.

Molecular Properties

Compound Name[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(4-chlorophenoxy)propanoate
PubChem CID15864456
Molecular FormulaC15H17ClO5
Molecular Weight312.75 g/mol
Exact Mass312.08
IUPAC Name[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(4-chlorophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)O[C@H]1C(=O)OCC1(C)C
InChIInChI=1S/C15H17ClO5/c1-9(20-11-6-4-10(16)5-7-11)13(17)21-12-14(18)19-8-15(12,2)3/h4-7,9,12H,8H2,1-3H3/t9-,12+/m1/s1
InChIKeyBBSGUTJLAJARQH-SKDRFNHKSA-N
XLogP2.60
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5,5-dimethyl-2-phosphanyl-1,3,2-dioxaphosphinan-2-ium-2-yl)ethyl 2-(4-chlorophenoxy)propanoate
CID 123598165
(3,3,5-trimethylcyclohexyl) 2-(4-chlorophenoxy)propanoate
CID 3045118
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2S)-2-bromo-3,3-dimethylbutanoate
CID 11109577
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (E)-2,4-dimethylpent-2-enoate
CID 11287907
(4-cyanophenyl) (2R)-2-(4-chlorophenoxy)propanoate
CID 7913075
[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate
CID 23737520
2-(4-chlorophenoxy)propanoate
CID 4556388
methyl 2-[4-(4-chloroanilino)phenoxy]propanoate
CID 13083957
[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8867384
cyclohexyl 2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxypropanoate
CID 2788889
2-(4-chlorophenoxy)-N-cyclobutyloxypropanamide
CID 155413533
2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152

Frequently Asked Questions

What is the IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(4-chlorophenoxy)propanoate?
The IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(4-chlorophenoxy)propanoate (CID 15864456) is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(4-chlorophenoxy)propanoate.
What is the SMILES notation for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(4-chlorophenoxy)propanoate?
The canonical SMILES for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(4-chlorophenoxy)propanoate is C[C@@H](Oc1ccc(Cl)cc1)C(=O)O[C@H]1C(=O)OCC1(C)C.
What is the InChIKey of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(4-chlorophenoxy)propanoate?
The InChIKey is BBSGUTJLAJARQH-SKDRFNHKSA-N. The full InChI is InChI=1S/C15H17ClO5/c1-9(20-11-6-4-10(16)5-7-11)13(17)21-12-14(18)19-8-15(12,2)3/h4-7,9,12H,8H2,1-3H3/t9-,12+/m1/s1.
What are the key properties of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(4-chlorophenoxy)propanoate?
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(4-chlorophenoxy)propanoate has a molecular weight of 312.75 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-(4-chlorophenoxy)propanoate is sourced from PubChem (CID 15864456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).