(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol

C12H17NO2 — CID 63365148

IUPAC(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
SMILESCOc1cccc(CN2CC[C@@H](O)C2)c1
InChIInChI=1S/C12H17NO2/c1-15-12-4-2-3-10(7-12)8-13-6-5-11(14)9-13/h2-4,7,11,14H,5-6,8-9H2,1H3/t11-/m1/s1
InChIKeyLPYMTQJBJKJOAF-LLVKDONJSA-N
MW207.27 g/mol
LogP1.26
Rot. Bonds3

About (3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol

(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol (PubChem CID 63365148) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
PubChem CID63365148
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
SMILESCOc1cccc(CN2CC[C@@H](O)C2)c1
InChIInChI=1S/C12H17NO2/c1-15-12-4-2-3-10(7-12)8-13-6-5-11(14)9-13/h2-4,7,11,14H,5-6,8-9H2,1H3/t11-/m1/s1
InChIKeyLPYMTQJBJKJOAF-LLVKDONJSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882936
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
1-[(3-methoxyphenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918664
1-[2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 82083424
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
3-(2-bromoethyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
CID 114800301
2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol
CID 172900058
1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine
CID 83980975
2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 83980971
(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882000
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol (CID 63365148) is (3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol is COc1cccc(CN2CC[C@@H](O)C2)c1.
What is the InChIKey of (3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is LPYMTQJBJKJOAF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-12-4-2-3-10(7-12)8-13-6-5-11(14)9-13/h2-4,7,11,14H,5-6,8-9H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol?
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 207.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 63365148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).