3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol

C17H27NO2 — CID 117237898

IUPAC3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
SMILESCc1cccc(OCC(CO)C2CCN(C(C)C)C2)c1
InChIInChI=1S/C17H27NO2/c1-13(2)18-8-7-15(10-18)16(11-19)12-20-17-6-4-5-14(3)9-17/h4-6,9,13,15-16,19H,7-8,10-12H2,1-3H3
InChIKeyMGZGCXPAFKSYPX-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.71
Rot. Bonds6

About 3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol

3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol (PubChem CID 117237898) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
PubChem CID117237898
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
SMILESCc1cccc(OCC(CO)C2CCN(C(C)C)C2)c1
InChIInChI=1S/C17H27NO2/c1-13(2)18-8-7-15(10-18)16(11-19)12-20-17-6-4-5-14(3)9-17/h4-6,9,13,15-16,19H,7-8,10-12H2,1-3H3
InChIKeyMGZGCXPAFKSYPX-UHFFFAOYSA-N
XLogP2.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239349
3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
CID 117239350
methyl 3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoate
CID 117238376
3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol
CID 117237909
3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237826
3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
CID 117239253
3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239345
1-cyclobutyl-2-(3-methylphenoxy)ethanol
CID 117245576
3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol
CID 117245651
3-(2-cyclohexyl-3-hydroxypropoxy)phenol
CID 117245989
3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine
CID 117239247
1-ethyl-2-[2-(3-methylphenoxy)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317520

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol?
The IUPAC name of 3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol (CID 117237898) is 3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol.
What is the SMILES notation for 3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol?
The canonical SMILES for 3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol is Cc1cccc(OCC(CO)C2CCN(C(C)C)C2)c1.
What is the InChIKey of 3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol?
The InChIKey is MGZGCXPAFKSYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)18-8-7-15(10-18)16(11-19)12-20-17-6-4-5-14(3)9-17/h4-6,9,13,15-16,19H,7-8,10-12H2,1-3H3.
What are the key properties of 3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol?
3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol is sourced from PubChem (CID 117237898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).