1-[4-(hydroxymethyl)-3-(sulfinoamino)phenoxy]naphthalene

C17H15NO4S — CID 59962160

IUPAC1-[4-(hydroxymethyl)-3-(sulfinoamino)phenoxy]naphthalene
SMILESO=S(O)Nc1cc(Oc2cccc3ccccc23)ccc1CO
InChIInChI=1S/C17H15NO4S/c19-11-13-8-9-14(10-16(13)18-23(20)21)22-17-7-3-5-12-4-1-2-6-15(12)17/h1-10,18-19H,11H2,(H,20,21)
InChIKeyODICGOKEYOTWIS-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.67
Rot. Bonds5

About 1-[4-(hydroxymethyl)-3-(sulfinoamino)phenoxy]naphthalene

1-[4-(hydroxymethyl)-3-(sulfinoamino)phenoxy]naphthalene (PubChem CID 59962160) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-3-(sulfinoamino)phenoxy]naphthalene.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-3-(sulfinoamino)phenoxy]naphthalene
PubChem CID59962160
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name1-[4-(hydroxymethyl)-3-(sulfinoamino)phenoxy]naphthalene
SMILESO=S(O)Nc1cc(Oc2cccc3ccccc23)ccc1CO
InChIInChI=1S/C17H15NO4S/c19-11-13-8-9-14(10-16(13)18-23(20)21)22-17-7-3-5-12-4-1-2-6-15(12)17/h1-10,18-19H,11H2,(H,20,21)
InChIKeyODICGOKEYOTWIS-UHFFFAOYSA-N
XLogP3.67
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(hydroxymethyl)-3-(sulfinoamino)phenoxy]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-2-naphthalen-1-yloxyphenyl)methanol
CID 43174100
4-naphthalen-1-yloxyphthalic acid
CID 174697498
N-methyl-1-(2-methyl-4-naphthalen-1-yloxyphenyl)methanamine
CID 63552196
1-[4-(methylperoxysulfinylamino)phenoxy]naphthalene
CID 59897977
[4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol
CID 63653809
2-bromo-4-naphthalen-1-yloxybenzoic acid
CID 107282441
4-naphthalen-1-yloxybenzoyl fluoride
CID 54185707
2-naphthalen-2-yl-6-(4-naphthalen-1-yloxyphenyl)naphthalene
CID 71004721
4-naphthalen-1-yloxybenzaldehyde
CID 19069208
N-methyl-1-(3-naphthalen-1-yloxyphenyl)ethanamine
CID 79166432
1-(3-naphthalen-1-yloxyphenyl)propan-1-one
CID 22660295
2-(hydroxymethyl)-4-[2-(hydroxymethyl)phenoxy]phenolate
CID 102341348

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-3-(sulfinoamino)phenoxy]naphthalene?
The IUPAC name of 1-[4-(hydroxymethyl)-3-(sulfinoamino)phenoxy]naphthalene (CID 59962160) is 1-[4-(hydroxymethyl)-3-(sulfinoamino)phenoxy]naphthalene.
What is the SMILES notation for 1-[4-(hydroxymethyl)-3-(sulfinoamino)phenoxy]naphthalene?
The canonical SMILES for 1-[4-(hydroxymethyl)-3-(sulfinoamino)phenoxy]naphthalene is O=S(O)Nc1cc(Oc2cccc3ccccc23)ccc1CO.
What is the InChIKey of 1-[4-(hydroxymethyl)-3-(sulfinoamino)phenoxy]naphthalene?
The InChIKey is ODICGOKEYOTWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c19-11-13-8-9-14(10-16(13)18-23(20)21)22-17-7-3-5-12-4-1-2-6-15(12)17/h1-10,18-19H,11H2,(H,20,21).
What are the key properties of 1-[4-(hydroxymethyl)-3-(sulfinoamino)phenoxy]naphthalene?
1-[4-(hydroxymethyl)-3-(sulfinoamino)phenoxy]naphthalene has a molecular weight of 329.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-3-(sulfinoamino)phenoxy]naphthalene is sourced from PubChem (CID 59962160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).