[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol

C14H21NO2 — CID 62017644

IUPAC[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol
SMILESCOc1ccc(CO)cc1CN1CCCC1C
InChIInChI=1S/C14H21NO2/c1-11-4-3-7-15(11)9-13-8-12(10-16)5-6-14(13)17-2/h5-6,8,11,16H,3-4,7,9-10H2,1-2H3
InChIKeyOJZKADCQDPKOHL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.17
Rot. Bonds4

About [4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol

[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol (PubChem CID 62017644) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol
PubChem CID62017644
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol
SMILESCOc1ccc(CO)cc1CN1CCCC1C
InChIInChI=1S/C14H21NO2/c1-11-4-3-7-15(11)9-13-8-12(10-16)5-6-14(13)17-2/h5-6,8,11,16H,3-4,7,9-10H2,1-2H3
InChIKeyOJZKADCQDPKOHL-UHFFFAOYSA-N
XLogP2.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62019466
[3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol
CID 62887966
4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 62018782
[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341173
N-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62017214
[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
CID 62018213
2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol
CID 82980366
[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methoxyphenyl]methanamine
CID 102725578
(E)-3-[4-methoxy-3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]prop-2-enoic acid
CID 51673713
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one
CID 62018410
[4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol
CID 62545227
[(2R)-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62733109

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol?
The IUPAC name of [4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol (CID 62017644) is [4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol.
What is the SMILES notation for [4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol?
The canonical SMILES for [4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol is COc1ccc(CO)cc1CN1CCCC1C.
What is the InChIKey of [4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol?
The InChIKey is OJZKADCQDPKOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-4-3-7-15(11)9-13-8-12(10-16)5-6-14(13)17-2/h5-6,8,11,16H,3-4,7,9-10H2,1-2H3.
What are the key properties of [4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol?
[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol is sourced from PubChem (CID 62017644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).