1-hydroxy-2-methoxy-4-[8-(sulfinatoamino)octyl]benzene

C15H24NO4S- — CID 70519826

IUPAC1-hydroxy-2-methoxy-4-[8-(sulfinatoamino)octyl]benzene
SMILESCOc1cc(CCCCCCCCNS(=O)[O-])ccc1O
InChIInChI=1S/C15H25NO4S/c1-20-15-12-13(9-10-14(15)17)8-6-4-2-3-5-7-11-16-21(18)19/h9-10,12,16-17H,2-8,11H2,1H3,(H,18,19)/p-1
InChIKeyWOVHQXXATRVZDS-UHFFFAOYSA-M
MW314.43 g/mol
LogP2.67
Rot. Bonds11

About 1-hydroxy-2-methoxy-4-[8-(sulfinatoamino)octyl]benzene

1-hydroxy-2-methoxy-4-[8-(sulfinatoamino)octyl]benzene (PubChem CID 70519826) has the molecular formula C15H24NO4S- and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-hydroxy-2-methoxy-4-[8-(sulfinatoamino)octyl]benzene.

Molecular Properties

Compound Name1-hydroxy-2-methoxy-4-[8-(sulfinatoamino)octyl]benzene
PubChem CID70519826
Molecular FormulaC15H24NO4S-
Molecular Weight314.43 g/mol
Exact Mass314.14
IUPAC Name1-hydroxy-2-methoxy-4-[8-(sulfinatoamino)octyl]benzene
SMILESCOc1cc(CCCCCCCCNS(=O)[O-])ccc1O
InChIInChI=1S/C15H25NO4S/c1-20-15-12-13(9-10-14(15)17)8-6-4-2-3-5-7-11-16-21(18)19/h9-10,12,16-17H,2-8,11H2,1H3,(H,18,19)/p-1
InChIKeyWOVHQXXATRVZDS-UHFFFAOYSA-M
XLogP2.67
TPSA81.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(4-hydroxy-3-methoxyphenyl)octanoic acid
CID 25005890
5-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 66838422
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol
CID 10845923
magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate)
CID 154644614
4-(4-hydroxy-3-methoxyphenyl)butanenitrile
CID 53434569
ethane;2-methoxy-4-propylphenol
CID 144852330
2-methoxy-4-[(nonylamino)methyl]phenol
CID 15788102
7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one
CID 45276919
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol
CID 11356573
2-methoxy-4-[(2-methylsulfinylethylamino)methyl]phenol
CID 115978630

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-methoxy-4-[8-(sulfinatoamino)octyl]benzene?
The IUPAC name of 1-hydroxy-2-methoxy-4-[8-(sulfinatoamino)octyl]benzene (CID 70519826) is 1-hydroxy-2-methoxy-4-[8-(sulfinatoamino)octyl]benzene.
What is the SMILES notation for 1-hydroxy-2-methoxy-4-[8-(sulfinatoamino)octyl]benzene?
The canonical SMILES for 1-hydroxy-2-methoxy-4-[8-(sulfinatoamino)octyl]benzene is COc1cc(CCCCCCCCNS(=O)[O-])ccc1O.
What is the InChIKey of 1-hydroxy-2-methoxy-4-[8-(sulfinatoamino)octyl]benzene?
The InChIKey is WOVHQXXATRVZDS-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H25NO4S/c1-20-15-12-13(9-10-14(15)17)8-6-4-2-3-5-7-11-16-21(18)19/h9-10,12,16-17H,2-8,11H2,1H3,(H,18,19)/p-1.
What are the key properties of 1-hydroxy-2-methoxy-4-[8-(sulfinatoamino)octyl]benzene?
1-hydroxy-2-methoxy-4-[8-(sulfinatoamino)octyl]benzene has a molecular weight of 314.43 g/mol, XLogP of 2.67, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-methoxy-4-[8-(sulfinatoamino)octyl]benzene is sourced from PubChem (CID 70519826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).