4-[(2R)-1,2-dimethylpyrrolidin-3-yl]phenol

C12H17NO — CID 143139742

IUPAC4-[(2R)-1,2-dimethylpyrrolidin-3-yl]phenol
SMILESC[C@@H]1C(c2ccc(O)cc2)CCN1C
InChIInChI=1S/C12H17NO/c1-9-12(7-8-13(9)2)10-3-5-11(14)6-4-10/h3-6,9,12,14H,7-8H2,1-2H3/t9-,12?/m1/s1
InChIKeyVTFOETXCVHICEV-PKEIRNPWSA-N
MW191.27 g/mol
LogP2.20
Rot. Bonds1

About 4-[(2R)-1,2-dimethylpyrrolidin-3-yl]phenol

4-[(2R)-1,2-dimethylpyrrolidin-3-yl]phenol (PubChem CID 143139742) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-[(2R)-1,2-dimethylpyrrolidin-3-yl]phenol.

Molecular Properties

Compound Name4-[(2R)-1,2-dimethylpyrrolidin-3-yl]phenol
PubChem CID143139742
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-[(2R)-1,2-dimethylpyrrolidin-3-yl]phenol
SMILESC[C@@H]1C(c2ccc(O)cc2)CCN1C
InChIInChI=1S/C12H17NO/c1-9-12(7-8-13(9)2)10-3-5-11(14)6-4-10/h3-6,9,12,14H,7-8H2,1-2H3/t9-,12?/m1/s1
InChIKeyVTFOETXCVHICEV-PKEIRNPWSA-N
XLogP2.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-1,2-dimethyl-3-phenylpiperidine
CID 97355864
(2R,3S)-1-acetyl-3-(4-hydroxyphenyl)pyrrolidine-2-carboxylic acid
CID 10610620
4-(1-methylazetidin-3-yl)phenol
CID 84651703
4-[(1S,2R)-2-hydroxycyclopentyl]phenol
CID 163763811
2-(4-hydroxyphenyl)-1-methylimidazolidin-4-one
CID 174408760
(1R)-2-(4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 105437337
2-(4-hydroxyphenyl)-1-methylpiperidin-3-one
CID 105457351
(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylic acid
CID 10824789
(3R,4R)-1,2-dimethyl-4-naphthalen-2-ylpiperidine-3-carboxylic acid
CID 68654438
4-(2-fluorocyclohexyl)phenol
CID 83855788
[3-(4-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine
CID 105462010
1-methyl-4-phenylpiperidine-2,3-dicarboxylic acid
CID 71398204

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1,2-dimethylpyrrolidin-3-yl]phenol?
The IUPAC name of 4-[(2R)-1,2-dimethylpyrrolidin-3-yl]phenol (CID 143139742) is 4-[(2R)-1,2-dimethylpyrrolidin-3-yl]phenol.
What is the SMILES notation for 4-[(2R)-1,2-dimethylpyrrolidin-3-yl]phenol?
The canonical SMILES for 4-[(2R)-1,2-dimethylpyrrolidin-3-yl]phenol is C[C@@H]1C(c2ccc(O)cc2)CCN1C.
What is the InChIKey of 4-[(2R)-1,2-dimethylpyrrolidin-3-yl]phenol?
The InChIKey is VTFOETXCVHICEV-PKEIRNPWSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-12(7-8-13(9)2)10-3-5-11(14)6-4-10/h3-6,9,12,14H,7-8H2,1-2H3/t9-,12?/m1/s1.
What are the key properties of 4-[(2R)-1,2-dimethylpyrrolidin-3-yl]phenol?
4-[(2R)-1,2-dimethylpyrrolidin-3-yl]phenol has a molecular weight of 191.27 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1,2-dimethylpyrrolidin-3-yl]phenol is sourced from PubChem (CID 143139742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).