4-[[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]phenol

C17H21NO3 — CID 99858079

IUPAC4-[[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]phenol
SMILESCOCc1ccc([C@H]2CCCN2Cc2ccc(O)cc2)o1
InChIInChI=1S/C17H21NO3/c1-20-12-15-8-9-17(21-15)16-3-2-10-18(16)11-13-4-6-14(19)7-5-13/h4-9,16,19H,2-3,10-12H2,1H3/t16-/m1/s1
InChIKeyRNFKDQHNZDGJQW-MRXNPFEDSA-N
MW287.36 g/mol
LogP3.47
Rot. Bonds5

About 4-[[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]phenol

4-[[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]phenol (PubChem CID 99858079) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]phenol
PubChem CID99858079
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-[[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]phenol
SMILESCOCc1ccc([C@H]2CCCN2Cc2ccc(O)cc2)o1
InChIInChI=1S/C17H21NO3/c1-20-12-15-8-9-17(21-15)16-3-2-10-18(16)11-13-4-6-14(19)7-5-13/h4-9,16,19H,2-3,10-12H2,1H3/t16-/m1/s1
InChIKeyRNFKDQHNZDGJQW-MRXNPFEDSA-N
XLogP3.47
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]benzoic acid
CID 122032962
(2S)-1,1,1-trifluoro-3-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propan-2-ol
CID 129381653
5-[[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole
CID 124721321
methyl (2S)-2-[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propanoate
CID 124573623
2-(dimethylamino)-1-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]ethanone
CID 86796200
(3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone
CID 91661571
5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120690417
(2R)-N-[2-(3-hydroxyphenyl)ethyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide
CID 99636971
4-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023822
[2-chloro-6-(methylamino)-4-pyridinyl]-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone
CID 97309825
(5-ethyl-1,2,4-oxadiazol-3-yl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone
CID 136532778
[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-[(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]methanone
CID 99715113

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]phenol?
The IUPAC name of 4-[[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]phenol (CID 99858079) is 4-[[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]phenol is COCc1ccc([C@H]2CCCN2Cc2ccc(O)cc2)o1.
What is the InChIKey of 4-[[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]phenol?
The InChIKey is RNFKDQHNZDGJQW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21NO3/c1-20-12-15-8-9-17(21-15)16-3-2-10-18(16)11-13-4-6-14(19)7-5-13/h4-9,16,19H,2-3,10-12H2,1H3/t16-/m1/s1.
What are the key properties of 4-[[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]phenol?
4-[[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]phenol has a molecular weight of 287.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]phenol is sourced from PubChem (CID 99858079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).