[5-[3-(morpholin-4-ylmethyl)phenyl]-2-propoxyphenyl]methanol

C21H27NO3 — CID 72839517

IUPAC[5-[3-(morpholin-4-ylmethyl)phenyl]-2-propoxyphenyl]methanol
SMILESCCCOc1ccc(-c2cccc(CN3CCOCC3)c2)cc1CO
InChIInChI=1S/C21H27NO3/c1-2-10-25-21-7-6-19(14-20(21)16-23)18-5-3-4-17(13-18)15-22-8-11-24-12-9-22/h3-7,13-14,23H,2,8-12,15-16H2,1H3
InChIKeySYQUPAFYRTVPQW-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.47
Rot. Bonds7

About [5-[3-(morpholin-4-ylmethyl)phenyl]-2-propoxyphenyl]methanol

[5-[3-(morpholin-4-ylmethyl)phenyl]-2-propoxyphenyl]methanol (PubChem CID 72839517) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is [5-[3-(morpholin-4-ylmethyl)phenyl]-2-propoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[3-(morpholin-4-ylmethyl)phenyl]-2-propoxyphenyl]methanol
PubChem CID72839517
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name[5-[3-(morpholin-4-ylmethyl)phenyl]-2-propoxyphenyl]methanol
SMILESCCCOc1ccc(-c2cccc(CN3CCOCC3)c2)cc1CO
InChIInChI=1S/C21H27NO3/c1-2-10-25-21-7-6-19(14-20(21)16-23)18-5-3-4-17(13-18)15-22-8-11-24-12-9-22/h3-7,13-14,23H,2,8-12,15-16H2,1H3
InChIKeySYQUPAFYRTVPQW-UHFFFAOYSA-N
XLogP3.47
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
[2-methoxy-5-[5-(morpholin-4-ylmethyl)-2-pyridinyl]phenyl]methanol
CID 90399338
[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 39226421
4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride
CID 660603
[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 63325103
[5-[(2-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6-yl)methyl]-2-propoxyphenyl]methanol
CID 154817417
[3-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 10891323
[4-(morpholin-4-ylmethyl)-2-pyridinyl]methanol
CID 18799862
N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62974479
1-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 137339902
4-[[3-(6-methoxy-2-pyridinyl)phenyl]methyl]morpholine
CID 50962081

Frequently Asked Questions

What is the IUPAC name of [5-[3-(morpholin-4-ylmethyl)phenyl]-2-propoxyphenyl]methanol?
The IUPAC name of [5-[3-(morpholin-4-ylmethyl)phenyl]-2-propoxyphenyl]methanol (CID 72839517) is [5-[3-(morpholin-4-ylmethyl)phenyl]-2-propoxyphenyl]methanol.
What is the SMILES notation for [5-[3-(morpholin-4-ylmethyl)phenyl]-2-propoxyphenyl]methanol?
The canonical SMILES for [5-[3-(morpholin-4-ylmethyl)phenyl]-2-propoxyphenyl]methanol is CCCOc1ccc(-c2cccc(CN3CCOCC3)c2)cc1CO.
What is the InChIKey of [5-[3-(morpholin-4-ylmethyl)phenyl]-2-propoxyphenyl]methanol?
The InChIKey is SYQUPAFYRTVPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-2-10-25-21-7-6-19(14-20(21)16-23)18-5-3-4-17(13-18)15-22-8-11-24-12-9-22/h3-7,13-14,23H,2,8-12,15-16H2,1H3.
What are the key properties of [5-[3-(morpholin-4-ylmethyl)phenyl]-2-propoxyphenyl]methanol?
[5-[3-(morpholin-4-ylmethyl)phenyl]-2-propoxyphenyl]methanol has a molecular weight of 341.45 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(morpholin-4-ylmethyl)phenyl]-2-propoxyphenyl]methanol is sourced from PubChem (CID 72839517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).