2-[2-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol

C17H27NO3 — CID 107714218

IUPAC2-[2-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol
SMILESCC(C)NC1(CO)CCC(Oc2ccccc2CCO)C1
InChIInChI=1S/C17H27NO3/c1-13(2)18-17(12-20)9-7-15(11-17)21-16-6-4-3-5-14(16)8-10-19/h3-6,13,15,18-20H,7-12H2,1-2H3
InChIKeyOCYMZJKAPRAXOZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.88
Rot. Bonds7

About 2-[2-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol

2-[2-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol (PubChem CID 107714218) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[2-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol.

Molecular Properties

Compound Name2-[2-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol
PubChem CID107714218
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[2-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol
SMILESCC(C)NC1(CO)CCC(Oc2ccccc2CCO)C1
InChIInChI=1S/C17H27NO3/c1-13(2)18-17(12-20)9-7-15(11-17)21-16-6-4-3-5-14(16)8-10-19/h3-6,13,15,18-20H,7-12H2,1-2H3
InChIKeyOCYMZJKAPRAXOZ-UHFFFAOYSA-N
XLogP1.88
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol?
The IUPAC name of 2-[2-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol (CID 107714218) is 2-[2-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol.
What is the SMILES notation for 2-[2-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol?
The canonical SMILES for 2-[2-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol is CC(C)NC1(CO)CCC(Oc2ccccc2CCO)C1.
What is the InChIKey of 2-[2-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol?
The InChIKey is OCYMZJKAPRAXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(2)18-17(12-20)9-7-15(11-17)21-16-6-4-3-5-14(16)8-10-19/h3-6,13,15,18-20H,7-12H2,1-2H3.
What are the key properties of 2-[2-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol?
2-[2-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol has a molecular weight of 293.41 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol is sourced from PubChem (CID 107714218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).