[(1S,2R)-2-(4-propan-2-yloxyphenyl)cyclohexyl] acetate

C17H24O3 — CID 57192072

IUPAC[(1S,2R)-2-(4-propan-2-yloxyphenyl)cyclohexyl] acetate
SMILESCC(=O)O[C@H]1CCCC[C@@H]1c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H24O3/c1-12(2)19-15-10-8-14(9-11-15)16-6-4-5-7-17(16)20-13(3)18/h8-12,16-17H,4-7H2,1-3H3/t16-,17+/m1/s1
InChIKeyOZANEXFNSGQNNO-SJORKVTESA-N
MW276.38 g/mol
LogP4.06
Rot. Bonds4

About [(1S,2R)-2-(4-propan-2-yloxyphenyl)cyclohexyl] acetate

[(1S,2R)-2-(4-propan-2-yloxyphenyl)cyclohexyl] acetate (PubChem CID 57192072) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is [(1S,2R)-2-(4-propan-2-yloxyphenyl)cyclohexyl] acetate.

Molecular Properties

Compound Name[(1S,2R)-2-(4-propan-2-yloxyphenyl)cyclohexyl] acetate
PubChem CID57192072
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name[(1S,2R)-2-(4-propan-2-yloxyphenyl)cyclohexyl] acetate
SMILESCC(=O)O[C@H]1CCCC[C@@H]1c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H24O3/c1-12(2)19-15-10-8-14(9-11-15)16-6-4-5-7-17(16)20-13(3)18/h8-12,16-17H,4-7H2,1-3H3/t16-,17+/m1/s1
InChIKeyOZANEXFNSGQNNO-SJORKVTESA-N
XLogP4.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2S)-2-(4-butoxyphenyl)cyclohexyl] acetate
CID 15234651
[(1S)-2-phenylcyclohexyl] acetate
CID 130428408
[2-[4-(cyclohexylmethoxy)phenyl]cyclohexyl] acetate
CID 139617619
trans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine
CID 94605675
[(1R,2S)-2-(4-butan-2-yloxyphenyl)cyclohexyl] dodecanoate
CID 54257065
2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
CID 21190507
[(1S,2R)-2-[4-[ethoxy(methoxy)methoxy]phenyl]cyclohexyl] propanoate
CID 57088320
[(1S,2R)-2-[3-(oxan-2-yloxy)phenyl]cyclohexyl] acetate
CID 56986167
[(1R,2S)-2-(4-ethoxyphenyl)cyclohexyl] dodecanoate
CID 54392313
[(1S,2R)-2-(4-propoxyphenyl)cyclohexyl] hexanoate
CID 57244676
1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene
CID 138979383
cyclopentyl 4-methyl-2-oxo-6-(4-propan-2-yloxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91936306

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(4-propan-2-yloxyphenyl)cyclohexyl] acetate?
The IUPAC name of [(1S,2R)-2-(4-propan-2-yloxyphenyl)cyclohexyl] acetate (CID 57192072) is [(1S,2R)-2-(4-propan-2-yloxyphenyl)cyclohexyl] acetate.
What is the SMILES notation for [(1S,2R)-2-(4-propan-2-yloxyphenyl)cyclohexyl] acetate?
The canonical SMILES for [(1S,2R)-2-(4-propan-2-yloxyphenyl)cyclohexyl] acetate is CC(=O)O[C@H]1CCCC[C@@H]1c1ccc(OC(C)C)cc1.
What is the InChIKey of [(1S,2R)-2-(4-propan-2-yloxyphenyl)cyclohexyl] acetate?
The InChIKey is OZANEXFNSGQNNO-SJORKVTESA-N. The full InChI is InChI=1S/C17H24O3/c1-12(2)19-15-10-8-14(9-11-15)16-6-4-5-7-17(16)20-13(3)18/h8-12,16-17H,4-7H2,1-3H3/t16-,17+/m1/s1.
What are the key properties of [(1S,2R)-2-(4-propan-2-yloxyphenyl)cyclohexyl] acetate?
[(1S,2R)-2-(4-propan-2-yloxyphenyl)cyclohexyl] acetate has a molecular weight of 276.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(4-propan-2-yloxyphenyl)cyclohexyl] acetate is sourced from PubChem (CID 57192072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).