4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol

C12H17NO3 — CID 107230514

IUPAC4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol
SMILESOCc1cccc(CNC2COCC2O)c1
InChIInChI=1S/C12H17NO3/c14-6-10-3-1-2-9(4-10)5-13-11-7-16-8-12(11)15/h1-4,11-15H,5-8H2
InChIKeyYSGRADRXOZNSRV-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.03
Rot. Bonds4

About 4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol

4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol (PubChem CID 107230514) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol.

Molecular Properties

Compound Name4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol
PubChem CID107230514
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol
SMILESOCc1cccc(CNC2COCC2O)c1
InChIInChI=1S/C12H17NO3/c14-6-10-3-1-2-9(4-10)5-13-11-7-16-8-12(11)15/h1-4,11-15H,5-8H2
InChIKeyYSGRADRXOZNSRV-UHFFFAOYSA-N
XLogP0.03
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-dimethylphenyl)methylamino]oxolan-3-ol
CID 115919708
(3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol
CID 93384215
(3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol
CID 86315428
(3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol
CID 93384643
[3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230719
[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methanol
CID 120914335
[3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol
CID 107229702
(3R,4S)-4-(2-phenylethylamino)oxolan-3-ol
CID 86315413
[3-[(1,4-dithiepan-6-ylamino)methyl]phenyl]methanol
CID 122562649
[3-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenyl]methanol;hydrochloride
CID 139951785
4-[(3-bromo-2-hydroxyphenyl)methylamino]oxolan-3-ol
CID 115919658
(3S)-3-N,5-N-dibenzyloxane-3,4,5-triamine
CID 138712790

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol?
The IUPAC name of 4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol (CID 107230514) is 4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol.
What is the SMILES notation for 4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol?
The canonical SMILES for 4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol is OCc1cccc(CNC2COCC2O)c1.
What is the InChIKey of 4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol?
The InChIKey is YSGRADRXOZNSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-6-10-3-1-2-9(4-10)5-13-11-7-16-8-12(11)15/h1-4,11-15H,5-8H2.
What are the key properties of 4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol?
4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol has a molecular weight of 223.27 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol is sourced from PubChem (CID 107230514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).