3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol

C15H23NO3 — CID 81212708

IUPAC3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)CCN1CCOC(CO)C1
InChIInChI=1S/C15H23NO3/c1-12-4-2-3-5-14(12)15(18)6-7-16-8-9-19-13(10-16)11-17/h2-5,13,15,17-18H,6-11H2,1H3
InChIKeyDQBRELDEBAIPGY-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.11
Rot. Bonds5

About 3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol

3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol (PubChem CID 81212708) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
PubChem CID81212708
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
SMILESCc1ccccc1C(O)CCN1CCOC(CO)C1
InChIInChI=1S/C15H23NO3/c1-12-4-2-3-5-14(12)15(18)6-7-16-8-9-19-13(10-16)11-17/h2-5,13,15,17-18H,6-11H2,1H3
InChIKeyDQBRELDEBAIPGY-UHFFFAOYSA-N
XLogP1.11
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol
CID 81212947
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 102936466
3-[2-(hydroxymethyl)morpholin-4-yl]-1-(3-methylphenyl)propan-1-ol
CID 81214348
1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol
CID 62623816
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol
CID 81213880
1-(4-bromo-2-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol
CID 82781196
3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol
CID 62624012
1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 62623454
1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 62623999
1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol
CID 62622922
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol
CID 103539283
N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2-methylphenyl)acetamide
CID 79835037

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol (CID 81212708) is 3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol is Cc1ccccc1C(O)CCN1CCOC(CO)C1.
What is the InChIKey of 3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol?
The InChIKey is DQBRELDEBAIPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12-4-2-3-5-14(12)15(18)6-7-16-8-9-19-13(10-16)11-17/h2-5,13,15,17-18H,6-11H2,1H3.
What are the key properties of 3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol?
3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol has a molecular weight of 265.35 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 81212708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).