1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol

C16H25NO3 — CID 64597058

IUPAC1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol
SMILESCOCC1CCN(Cc2cc(C(C)O)ccc2OC)C1
InChIInChI=1S/C16H25NO3/c1-12(18)14-4-5-16(20-3)15(8-14)10-17-7-6-13(9-17)11-19-2/h4-5,8,12-13,18H,6-7,9-11H2,1-3H3
InChIKeyJSDDXBHAFCECAR-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.22
Rot. Bonds6

About 1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol

1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol (PubChem CID 64597058) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol
PubChem CID64597058
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol
SMILESCOCC1CCN(Cc2cc(C(C)O)ccc2OC)C1
InChIInChI=1S/C16H25NO3/c1-12(18)14-4-5-16(20-3)15(8-14)10-17-7-6-13(9-17)11-19-2/h4-5,8,12-13,18H,6-7,9-11H2,1-3H3
InChIKeyJSDDXBHAFCECAR-UHFFFAOYSA-N
XLogP2.22
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine
CID 82159596
1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone
CID 64596974
(3S,4R)-4-(hydroxymethyl)-1-[(2-methoxy-5-propan-2-ylphenyl)methyl]piperidin-3-ol
CID 56887437
1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-methoxyphenyl]ethanol
CID 62229958
4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 63971622
4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 106588718
[4-methoxy-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]boronic acid
CID 65327539
[2-methoxy-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]boronic acid
CID 64599663
1-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-4-methoxyphenyl]ethanol
CID 65320149
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(bromomethyl)pyrrolidine
CID 80691732
1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine
CID 102965482
4-methoxy-3-[(3-propylpyrrolidin-1-yl)methyl]benzonitrile
CID 112703211

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol?
The IUPAC name of 1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol (CID 64597058) is 1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol.
What is the SMILES notation for 1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol?
The canonical SMILES for 1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol is COCC1CCN(Cc2cc(C(C)O)ccc2OC)C1.
What is the InChIKey of 1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol?
The InChIKey is JSDDXBHAFCECAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(18)14-4-5-16(20-3)15(8-14)10-17-7-6-13(9-17)11-19-2/h4-5,8,12-13,18H,6-7,9-11H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol?
1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol has a molecular weight of 279.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol is sourced from PubChem (CID 64597058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).