oxan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol

C13H21NO2 — CID 63927087

IUPACoxan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
SMILESCc1[nH]c(C(O)C2CCCOC2)c(C)c1C
InChIInChI=1S/C13H21NO2/c1-8-9(2)12(14-10(8)3)13(15)11-5-4-6-16-7-11/h11,13-15H,4-7H2,1-3H3
InChIKeyGYCKLNCCIXQIHZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.40
Rot. Bonds2

About oxan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol

oxan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol (PubChem CID 63927087) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is oxan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Nameoxan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
PubChem CID63927087
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Nameoxan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
SMILESCc1[nH]c(C(O)C2CCCOC2)c(C)c1C
InChIInChI=1S/C13H21NO2/c1-8-9(2)12(14-10(8)3)13(15)11-5-4-6-16-7-11/h11,13-15H,4-7H2,1-3H3
InChIKeyGYCKLNCCIXQIHZ-UHFFFAOYSA-N
XLogP2.40
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol
CID 107512213
(2,4-difluoro-5-methylphenyl)-(oxan-3-yl)methanol
CID 79731520
(4-methyl-3-pyridinyl)-(oxan-3-yl)methanol
CID 66273091
(5-bromo-2-methylphenyl)-(oxan-3-yl)methanol
CID 107139423
(5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol
CID 63899537
(1,5-dimethylpyrazol-4-yl)-(oxan-3-yl)methanol
CID 107135628
(4-methylsulfanylphenyl)-(oxan-3-yl)methanol
CID 107136272
(4-ethylphenyl)-(oxan-3-yl)methanol
CID 63014910
4-methyl-3-(oxan-3-yl)pentan-2-ol
CID 107137352
(4-bromophenyl)-(oxan-3-yl)methanol
CID 63015439
2-amino-1-(oxan-3-yl)butan-1-ol
CID 63737699
2-(dimethylamino)-1-(oxan-3-yl)ethanol
CID 107136154

Frequently Asked Questions

What is the IUPAC name of oxan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The IUPAC name of oxan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol (CID 63927087) is oxan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol.
What is the SMILES notation for oxan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The canonical SMILES for oxan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol is Cc1[nH]c(C(O)C2CCCOC2)c(C)c1C.
What is the InChIKey of oxan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The InChIKey is GYCKLNCCIXQIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-8-9(2)12(14-10(8)3)13(15)11-5-4-6-16-7-11/h11,13-15H,4-7H2,1-3H3.
What are the key properties of oxan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
oxan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol has a molecular weight of 223.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 63927087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).