(2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol

C12H17NO3 — CID 105480449

IUPAC(2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol
SMILESCOc1ccc(C(O)C2CCOC2)c(N)c1
InChIInChI=1S/C12H17NO3/c1-15-9-2-3-10(11(13)6-9)12(14)8-4-5-16-7-8/h2-3,6,8,12,14H,4-5,7,13H2,1H3
InChIKeyKXVMDMYEWFMNKA-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.35
Rot. Bonds3

About (2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol

(2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol (PubChem CID 105480449) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol.

Molecular Properties

Compound Name(2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol
PubChem CID105480449
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol
SMILESCOc1ccc(C(O)C2CCOC2)c(N)c1
InChIInChI=1S/C12H17NO3/c1-15-9-2-3-10(11(13)6-9)12(14)8-4-5-16-7-8/h2-3,6,8,12,14H,4-5,7,13H2,1H3
InChIKeyKXVMDMYEWFMNKA-UHFFFAOYSA-N
XLogP1.35
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol
CID 61277701
(5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol
CID 175093118
(2-amino-4-methoxyphenyl)-cyclohexylmethanol
CID 105496696
3-amino-4-[hydroxy(oxolan-3-yl)methyl]phenol
CID 105462722
(4-chloro-2-methoxyphenyl)-(oxolan-3-yl)methanol
CID 115798171
oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol
CID 63896019
(2-amino-5-methoxyphenyl)-cyclopropylmethanol
CID 105447147
[(2,4-dimethoxyphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229519
1-(2-bromo-4-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61276590
4-[bromo-(2-bromo-4-methoxyphenyl)methyl]oxane
CID 62906753
(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 62905650
(3-methoxy-4-pyridinyl)-(oxolan-3-yl)methanol
CID 105066290

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol?
The IUPAC name of (2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol (CID 105480449) is (2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol.
What is the SMILES notation for (2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol?
The canonical SMILES for (2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol is COc1ccc(C(O)C2CCOC2)c(N)c1.
What is the InChIKey of (2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol?
The InChIKey is KXVMDMYEWFMNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-9-2-3-10(11(13)6-9)12(14)8-4-5-16-7-8/h2-3,6,8,12,14H,4-5,7,13H2,1H3.
What are the key properties of (2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol?
(2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol has a molecular weight of 223.27 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol is sourced from PubChem (CID 105480449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).