1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-methylimidazolidin-2-one

C15H22N2O3 — CID 62492213

IUPAC1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-methylimidazolidin-2-one
SMILESCC(C)Oc1ccc(C(O)CN2CCN(C)C2=O)cc1
InChIInChI=1S/C15H22N2O3/c1-11(2)20-13-6-4-12(5-7-13)14(18)10-17-9-8-16(3)15(17)19/h4-7,11,14,18H,8-10H2,1-3H3
InChIKeyXBMHEVPOHFUMJT-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.87
Rot. Bonds5

About 1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-methylimidazolidin-2-one

1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-methylimidazolidin-2-one (PubChem CID 62492213) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-methylimidazolidin-2-one
PubChem CID62492213
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-methylimidazolidin-2-one
SMILESCC(C)Oc1ccc(C(O)CN2CCN(C)C2=O)cc1
InChIInChI=1S/C15H22N2O3/c1-11(2)20-13-6-4-12(5-7-13)14(18)10-17-9-8-16(3)15(17)19/h4-7,11,14,18H,8-10H2,1-3H3
InChIKeyXBMHEVPOHFUMJT-UHFFFAOYSA-N
XLogP1.87
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-2-(4-propoxyphenyl)ethyl]-3-methylimidazolidin-2-one
CID 62492041
1-[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]piperidin-4-one
CID 82073848
3-hydroxy-3-(4-propan-2-yloxyphenyl)propanenitrile
CID 79116482
3-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212276
1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 22486858
1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylimidazolidin-2-one
CID 62490472
(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 28945621
2-cyclopentyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 61086888
1-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione
CID 117026424
1-ethyl-3-[1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]imidazolidin-2-one
CID 95305402
2-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 82314145
2-(4-propan-2-yloxyphenyl)pentan-3-one
CID 79308465

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-methylimidazolidin-2-one (CID 62492213) is 1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-methylimidazolidin-2-one is CC(C)Oc1ccc(C(O)CN2CCN(C)C2=O)cc1.
What is the InChIKey of 1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-methylimidazolidin-2-one?
The InChIKey is XBMHEVPOHFUMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)20-13-6-4-12(5-7-13)14(18)10-17-9-8-16(3)15(17)19/h4-7,11,14,18H,8-10H2,1-3H3.
What are the key properties of 1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-methylimidazolidin-2-one?
1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-methylimidazolidin-2-one has a molecular weight of 278.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 62492213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).