cyclohexyl 2-phenylacetate;methyl 2-phenylacetate

C23H28O4 — CID 5314269

IUPACcyclohexyl 2-phenylacetate;methyl 2-phenylacetate
SMILESCOC(=O)Cc1ccccc1.O=C(Cc1ccccc1)OC1CCCCC1
InChIInChI=1S/C14H18O2.C9H10O2/c15-14(11-12-7-3-1-4-8-12)16-13-9-5-2-6-10-13;1-11-9(10)7-8-5-3-2-4-6-8/h1,3-4,7-8,13H,2,5-6,9-11H2;2-6H,7H2,1H3
InChIKeyQHOYZYDUQYEORH-UHFFFAOYSA-N
MW368.47 g/mol
LogP4.51
Rot. Bonds5

About cyclohexyl 2-phenylacetate;methyl 2-phenylacetate

cyclohexyl 2-phenylacetate;methyl 2-phenylacetate (PubChem CID 5314269) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is cyclohexyl 2-phenylacetate;methyl 2-phenylacetate.

Molecular Properties

Compound Namecyclohexyl 2-phenylacetate;methyl 2-phenylacetate
PubChem CID5314269
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Namecyclohexyl 2-phenylacetate;methyl 2-phenylacetate
SMILESCOC(=O)Cc1ccccc1.O=C(Cc1ccccc1)OC1CCCCC1
InChIInChI=1S/C14H18O2.C9H10O2/c15-14(11-12-7-3-1-4-8-12)16-13-9-5-2-6-10-13;1-11-9(10)7-8-5-3-2-4-6-8/h1,3-4,7-8,13H,2,5-6,9-11H2;2-6H,7H2,1H3
InChIKeyQHOYZYDUQYEORH-UHFFFAOYSA-N
XLogP4.51
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl 2-phenylacetate
CID 135066962
CID 172801156
CID 172801156
(4-oxocyclohexyl) 2-phenylacetate
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(1-methylpiperidin-3-yl) 2-phenylacetate
CID 86143291
carbon dioxide;methyl 2-phenylacetate
CID 159198536
cycloheptyl 2-(3-aminophenyl)acetate
CID 62499374
cyclopentyl 2-[4-(aminomethyl)phenyl]acetate
CID 174631265
cyclohexyl 2-[4-(trifluoromethyl)phenyl]acetate
CID 52537150
cyclododecyl 4-phenylbutanoate
CID 23159480
methyl 2-(4-cycloheptylphenyl)acetate
CID 54417181
(5,6-dibenzylcyclopentadecyl) propanoate
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piperidin-2-yl 2-phenylacetate
CID 154340125

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-phenylacetate;methyl 2-phenylacetate?
The IUPAC name of cyclohexyl 2-phenylacetate;methyl 2-phenylacetate (CID 5314269) is cyclohexyl 2-phenylacetate;methyl 2-phenylacetate.
What is the SMILES notation for cyclohexyl 2-phenylacetate;methyl 2-phenylacetate?
The canonical SMILES for cyclohexyl 2-phenylacetate;methyl 2-phenylacetate is COC(=O)Cc1ccccc1.O=C(Cc1ccccc1)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-phenylacetate;methyl 2-phenylacetate?
The InChIKey is QHOYZYDUQYEORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2.C9H10O2/c15-14(11-12-7-3-1-4-8-12)16-13-9-5-2-6-10-13;1-11-9(10)7-8-5-3-2-4-6-8/h1,3-4,7-8,13H,2,5-6,9-11H2;2-6H,7H2,1H3.
What are the key properties of cyclohexyl 2-phenylacetate;methyl 2-phenylacetate?
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate has a molecular weight of 368.47 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-phenylacetate;methyl 2-phenylacetate is sourced from PubChem (CID 5314269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).