[3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol

C12H17NO3 — CID 107743165

IUPAC[3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol
SMILESCOc1cc(CO)ccc1O[C@H]1CCNC1
InChIInChI=1S/C12H17NO3/c1-15-12-6-9(8-14)2-3-11(12)16-10-4-5-13-7-10/h2-3,6,10,13-14H,4-5,7-8H2,1H3/t10-/m0/s1
InChIKeyGRUBMTKMGOJVMG-JTQLQIEISA-N
MW223.27 g/mol
LogP0.93
Rot. Bonds4

About [3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol

[3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol (PubChem CID 107743165) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is [3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol
PubChem CID107743165
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name[3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol
SMILESCOc1cc(CO)ccc1O[C@H]1CCNC1
InChIInChI=1S/C12H17NO3/c1-15-12-6-9(8-14)2-3-11(12)16-10-4-5-13-7-10/h2-3,6,10,13-14H,4-5,7-8H2,1H3/t10-/m0/s1
InChIKeyGRUBMTKMGOJVMG-JTQLQIEISA-N
XLogP0.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine
CID 107664998
[3-methoxy-4-(thian-4-yloxy)phenyl]methanol
CID 117389372
2-(4-methoxy-3-piperidin-3-yloxyphenyl)ethanol
CID 115005664
3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 141190675
4-(2-methoxy-4-propylphenoxy)piperidine;hydrochloride
CID 56831182
4-(2-methoxy-4-prop-2-enylphenoxy)piperidine
CID 56830913
(3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride
CID 129319949
3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine
CID 117489948
3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine
CID 117467787
(3S)-3-(2-chloro-4-ethylphenoxy)pyrrolidine
CID 86322321
[3-(3,5-dimethylcyclohexyl)oxy-4-methoxyphenyl]methanol
CID 64734954
[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-methoxyphenyl]methanol
CID 79898778

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol?
The IUPAC name of [3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol (CID 107743165) is [3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol.
What is the SMILES notation for [3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol?
The canonical SMILES for [3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol is COc1cc(CO)ccc1O[C@H]1CCNC1.
What is the InChIKey of [3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol?
The InChIKey is GRUBMTKMGOJVMG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-12-6-9(8-14)2-3-11(12)16-10-4-5-13-7-10/h2-3,6,10,13-14H,4-5,7-8H2,1H3/t10-/m0/s1.
What are the key properties of [3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol?
[3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol has a molecular weight of 223.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol is sourced from PubChem (CID 107743165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).