[(2R,4R)-4-(4-chlorophenyl)pentan-2-yl] formate

C12H15ClO2 — CID 142840615

IUPAC[(2R,4R)-4-(4-chlorophenyl)pentan-2-yl] formate
SMILESC[C@H](C[C@@H](C)c1ccc(Cl)cc1)OC=O
InChIInChI=1S/C12H15ClO2/c1-9(7-10(2)15-8-14)11-3-5-12(13)6-4-11/h3-6,8-10H,7H2,1-2H3/t9-,10-/m1/s1
InChIKeyFFHOQFLHCZNCSI-NXEZZACHSA-N
MW226.70 g/mol
LogP3.40
Rot. Bonds5

About [(2R,4R)-4-(4-chlorophenyl)pentan-2-yl] formate

[(2R,4R)-4-(4-chlorophenyl)pentan-2-yl] formate (PubChem CID 142840615) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is [(2R,4R)-4-(4-chlorophenyl)pentan-2-yl] formate.

Molecular Properties

Compound Name[(2R,4R)-4-(4-chlorophenyl)pentan-2-yl] formate
PubChem CID142840615
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name[(2R,4R)-4-(4-chlorophenyl)pentan-2-yl] formate
SMILESC[C@H](C[C@@H](C)c1ccc(Cl)cc1)OC=O
InChIInChI=1S/C12H15ClO2/c1-9(7-10(2)15-8-14)11-3-5-12(13)6-4-11/h3-6,8-10H,7H2,1-2H3/t9-,10-/m1/s1
InChIKeyFFHOQFLHCZNCSI-NXEZZACHSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-(4-chlorophenyl)pentan-2-yl] formate?
The IUPAC name of [(2R,4R)-4-(4-chlorophenyl)pentan-2-yl] formate (CID 142840615) is [(2R,4R)-4-(4-chlorophenyl)pentan-2-yl] formate.
What is the SMILES notation for [(2R,4R)-4-(4-chlorophenyl)pentan-2-yl] formate?
The canonical SMILES for [(2R,4R)-4-(4-chlorophenyl)pentan-2-yl] formate is C[C@H](C[C@@H](C)c1ccc(Cl)cc1)OC=O.
What is the InChIKey of [(2R,4R)-4-(4-chlorophenyl)pentan-2-yl] formate?
The InChIKey is FFHOQFLHCZNCSI-NXEZZACHSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-9(7-10(2)15-8-14)11-3-5-12(13)6-4-11/h3-6,8-10H,7H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of [(2R,4R)-4-(4-chlorophenyl)pentan-2-yl] formate?
[(2R,4R)-4-(4-chlorophenyl)pentan-2-yl] formate has a molecular weight of 226.70 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-(4-chlorophenyl)pentan-2-yl] formate is sourced from PubChem (CID 142840615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).