methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate

C16H21ClO2 — CID 15317241

IUPACmethyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate
SMILESCOC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCCCC1
InChIInChI=1S/C16H21ClO2/c1-19-16(18)15(12-6-4-2-3-5-7-12)13-8-10-14(17)11-9-13/h8-12,15H,2-7H2,1H3/t15-/m1/s1
InChIKeyANPZOXFMNPIVLV-OAHLLOKOSA-N
MW280.80 g/mol
LogP4.57
Rot. Bonds3

About methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate

methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate (PubChem CID 15317241) has the molecular formula C16H21ClO2 and a molecular weight of 280.80 g/mol. Its IUPAC name is methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate
PubChem CID15317241
Molecular FormulaC16H21ClO2
Molecular Weight280.80 g/mol
Exact Mass280.12
IUPAC Namemethyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate
SMILESCOC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCCCC1
InChIInChI=1S/C16H21ClO2/c1-19-16(18)15(12-6-4-2-3-5-7-12)13-8-10-14(17)11-9-13/h8-12,15H,2-7H2,1H3/t15-/m1/s1
InChIKeyANPZOXFMNPIVLV-OAHLLOKOSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate
CID 125106455
methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate
CID 124640320
methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate
CID 82077609
methyl 2-cyclopropyl-2-phenylacetate
CID 82075532
methyl 2-[4-[[2-(4-chlorophenyl)-5-oxo-1,3,4-oxadiazin-4-yl]methyl]phenyl]-2-cyclopentylacetate
CID 58136649
methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate
CID 129395618
methyl 2-cyclohexyl-2-thiophen-2-ylacetate
CID 6453195
2,2,2-trichloroethyl 2-cycloheptyl-2-(4-methoxyphenyl)acetate
CID 132507385
methyl 2-(5-chloro-1-methylbenzimidazol-2-yl)-2-cyclopentylacetate
CID 115926131
methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate
CID 60666904
methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate
CID 83982541
methyl 2-[3-(bromomethyl)phenyl]-2-cyclopentylacetate
CID 21255098

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate?
The IUPAC name of methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate (CID 15317241) is methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate.
What is the SMILES notation for methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate?
The canonical SMILES for methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate is COC(=O)[C@@H](c1ccc(Cl)cc1)C1CCCCCC1.
What is the InChIKey of methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate?
The InChIKey is ANPZOXFMNPIVLV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21ClO2/c1-19-16(18)15(12-6-4-2-3-5-7-12)13-8-10-14(17)11-9-13/h8-12,15H,2-7H2,1H3/t15-/m1/s1.
What are the key properties of methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate?
methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate has a molecular weight of 280.80 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate is sourced from PubChem (CID 15317241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).