1-[3-[(methoxyamino)methyl]phenyl]ethane-1,2-diol

C10H15NO3 — CID 117287069

IUPAC1-[3-[(methoxyamino)methyl]phenyl]ethane-1,2-diol
SMILESCONCc1cccc(C(O)CO)c1
InChIInChI=1S/C10H15NO3/c1-14-11-6-8-3-2-4-9(5-8)10(13)7-12/h2-5,10-13H,6-7H2,1H3
InChIKeyDCAIBHQTTITPDV-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.36
Rot. Bonds5

About 1-[3-[(methoxyamino)methyl]phenyl]ethane-1,2-diol

1-[3-[(methoxyamino)methyl]phenyl]ethane-1,2-diol (PubChem CID 117287069) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-[3-[(methoxyamino)methyl]phenyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[3-[(methoxyamino)methyl]phenyl]ethane-1,2-diol
PubChem CID117287069
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-[3-[(methoxyamino)methyl]phenyl]ethane-1,2-diol
SMILESCONCc1cccc(C(O)CO)c1
InChIInChI=1S/C10H15NO3/c1-14-11-6-8-3-2-4-9(5-8)10(13)7-12/h2-5,10-13H,6-7H2,1H3
InChIKeyDCAIBHQTTITPDV-UHFFFAOYSA-N
XLogP0.36
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol
CID 117107385
1-[3-(2-amino-2-methylpropyl)phenyl]ethane-1,2-diol
CID 117299109
1-(3-propan-2-ylphenyl)ethane-1,2-diol
CID 155397805
1-[3-(2-methoxyethoxymethoxy)phenyl]ethane-1,2-diol
CID 76530110
1-[3-(difluoromethylsulfanyl)phenyl]-N-methoxymethanamine
CID 117312262
2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543527
N-methoxy-1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]methanamine
CID 117107418
3-ethyl-1-[3-(methoxymethyl)phenyl]pentan-1-ol
CID 82928186
2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 115526569
1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine
CID 82706582
3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol
CID 42610605
1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol
CID 117342846

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(methoxyamino)methyl]phenyl]ethane-1,2-diol?
The IUPAC name of 1-[3-[(methoxyamino)methyl]phenyl]ethane-1,2-diol (CID 117287069) is 1-[3-[(methoxyamino)methyl]phenyl]ethane-1,2-diol.
What is the SMILES notation for 1-[3-[(methoxyamino)methyl]phenyl]ethane-1,2-diol?
The canonical SMILES for 1-[3-[(methoxyamino)methyl]phenyl]ethane-1,2-diol is CONCc1cccc(C(O)CO)c1.
What is the InChIKey of 1-[3-[(methoxyamino)methyl]phenyl]ethane-1,2-diol?
The InChIKey is DCAIBHQTTITPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-14-11-6-8-3-2-4-9(5-8)10(13)7-12/h2-5,10-13H,6-7H2,1H3.
What are the key properties of 1-[3-[(methoxyamino)methyl]phenyl]ethane-1,2-diol?
1-[3-[(methoxyamino)methyl]phenyl]ethane-1,2-diol has a molecular weight of 197.23 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(methoxyamino)methyl]phenyl]ethane-1,2-diol is sourced from PubChem (CID 117287069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).