3-amino-4-[hydroxy(oxolan-3-yl)methyl]phenol

C11H15NO3 — CID 105462722

IUPAC3-amino-4-[hydroxy(oxolan-3-yl)methyl]phenol
SMILESNc1cc(O)ccc1C(O)C1CCOC1
InChIInChI=1S/C11H15NO3/c12-10-5-8(13)1-2-9(10)11(14)7-3-4-15-6-7/h1-2,5,7,11,13-14H,3-4,6,12H2
InChIKeyBABLGZKNEXCOAR-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.04
Rot. Bonds2

About 3-amino-4-[hydroxy(oxolan-3-yl)methyl]phenol

3-amino-4-[hydroxy(oxolan-3-yl)methyl]phenol (PubChem CID 105462722) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-amino-4-[hydroxy(oxolan-3-yl)methyl]phenol.

Molecular Properties

Compound Name3-amino-4-[hydroxy(oxolan-3-yl)methyl]phenol
PubChem CID105462722
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3-amino-4-[hydroxy(oxolan-3-yl)methyl]phenol
SMILESNc1cc(O)ccc1C(O)C1CCOC1
InChIInChI=1S/C11H15NO3/c12-10-5-8(13)1-2-9(10)11(14)7-3-4-15-6-7/h1-2,5,7,11,13-14H,3-4,6,12H2
InChIKeyBABLGZKNEXCOAR-UHFFFAOYSA-N
XLogP1.04
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol
CID 105480449
(2,5-dibromophenyl)-(oxolan-3-yl)methanol
CID 61277086
oxolan-3-yl-(2,3,4-trifluorophenyl)methanol
CID 63893972
(2-fluorophenyl)-(oxolan-3-yl)methanol
CID 63565123
(2-chlorophenyl)-(oxolan-3-yl)methanol
CID 63564171
(2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol
CID 61277701
(4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol
CID 115798171
(2-methylfuran-3-yl)-(oxolan-3-yl)methanol
CID 104789574
(2-fluoro-5-methylphenyl)-(oxolan-3-yl)methanol
CID 63893222
4-amino-3-(oxan-4-yl)phenol
CID 117104375
oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol
CID 63896019
(5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol
CID 175093118

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[hydroxy(oxolan-3-yl)methyl]phenol?
The IUPAC name of 3-amino-4-[hydroxy(oxolan-3-yl)methyl]phenol (CID 105462722) is 3-amino-4-[hydroxy(oxolan-3-yl)methyl]phenol.
What is the SMILES notation for 3-amino-4-[hydroxy(oxolan-3-yl)methyl]phenol?
The canonical SMILES for 3-amino-4-[hydroxy(oxolan-3-yl)methyl]phenol is Nc1cc(O)ccc1C(O)C1CCOC1.
What is the InChIKey of 3-amino-4-[hydroxy(oxolan-3-yl)methyl]phenol?
The InChIKey is BABLGZKNEXCOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c12-10-5-8(13)1-2-9(10)11(14)7-3-4-15-6-7/h1-2,5,7,11,13-14H,3-4,6,12H2.
What are the key properties of 3-amino-4-[hydroxy(oxolan-3-yl)methyl]phenol?
3-amino-4-[hydroxy(oxolan-3-yl)methyl]phenol has a molecular weight of 209.25 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[hydroxy(oxolan-3-yl)methyl]phenol is sourced from PubChem (CID 105462722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).