ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol

C14H23NO2 — CID 164591484

IUPACethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
SMILESCC.OCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C12H17NO2.C2H6/c14-10-12-3-1-2-11(8-12)9-13-4-6-15-7-5-13;1-2/h1-3,8,14H,4-7,9-10H2;1-2H3
InChIKeyPXCCOXHGMZRVAT-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.04
Rot. Bonds3

About ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol

ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol (PubChem CID 164591484) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol.

Molecular Properties

Compound Nameethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
PubChem CID164591484
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
SMILESCC.OCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C12H17NO2.C2H6/c14-10-12-3-1-2-11(8-12)9-13-4-6-15-7-5-13;1-2/h1-3,8,14H,4-7,9-10H2;1-2H3
InChIKeyPXCCOXHGMZRVAT-UHFFFAOYSA-N
XLogP2.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(piperazin-1-ylmethyl)phenyl]methanol
CID 23023149
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
[3-(morpholin-4-ylmethyl)phenyl]boronic acid
CID 11031409
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline
CID 58543772
2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid
CID 155789739
3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
CID 132771184
N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62974479
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
[4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol
CID 112631236
[4-(morpholin-4-ylmethyl)-2-pyridinyl]methanol
CID 18799862

Frequently Asked Questions

What is the IUPAC name of ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol?
The IUPAC name of ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol (CID 164591484) is ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol.
What is the SMILES notation for ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol?
The canonical SMILES for ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol is CC.OCc1cccc(CN2CCOCC2)c1.
What is the InChIKey of ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol?
The InChIKey is PXCCOXHGMZRVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.C2H6/c14-10-12-3-1-2-11(8-12)9-13-4-6-15-7-5-13;1-2/h1-3,8,14H,4-7,9-10H2;1-2H3.
What are the key properties of ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol?
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol has a molecular weight of 237.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol is sourced from PubChem (CID 164591484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).