1,2-dihydroxy-2H-naphthalene-1-sulfonic acid;naphthalene

C20H18O5S — CID 175420156

IUPAC1,2-dihydroxy-2H-naphthalene-1-sulfonic acid;naphthalene
SMILESO=S(=O)(O)C1(O)c2ccccc2C=CC1O.c1ccc2ccccc2c1
InChIInChI=1S/C10H10O5S.C10H8/c11-9-6-5-7-3-1-2-4-8(7)10(9,12)16(13,14)15;1-2-6-10-8-4-3-7-9(10)5-1/h1-6,9,11-12H,(H,13,14,15);1-8H
InChIKeyYCIGIZMSBZHCDG-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.95
Rot. Bonds1

About 1,2-dihydroxy-2H-naphthalene-1-sulfonic acid;naphthalene

1,2-dihydroxy-2H-naphthalene-1-sulfonic acid;naphthalene (PubChem CID 175420156) has the molecular formula C20H18O5S and a molecular weight of 370.43 g/mol. Its IUPAC name is 1,2-dihydroxy-2H-naphthalene-1-sulfonic acid;naphthalene.

Molecular Properties

Compound Name1,2-dihydroxy-2H-naphthalene-1-sulfonic acid;naphthalene
PubChem CID175420156
Molecular FormulaC20H18O5S
Molecular Weight370.43 g/mol
Exact Mass370.09
IUPAC Name1,2-dihydroxy-2H-naphthalene-1-sulfonic acid;naphthalene
SMILESO=S(=O)(O)C1(O)c2ccccc2C=CC1O.c1ccc2ccccc2c1
InChIInChI=1S/C10H10O5S.C10H8/c11-9-6-5-7-3-1-2-4-8(7)10(9,12)16(13,14)15;1-2-6-10-8-4-3-7-9(10)5-1/h1-6,9,11-12H,(H,13,14,15);1-8H
InChIKeyYCIGIZMSBZHCDG-UHFFFAOYSA-N
XLogP2.95
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroxy-2H-naphthalene-1-sulfonic acid;naphthalene?
The IUPAC name of 1,2-dihydroxy-2H-naphthalene-1-sulfonic acid;naphthalene (CID 175420156) is 1,2-dihydroxy-2H-naphthalene-1-sulfonic acid;naphthalene.
What is the SMILES notation for 1,2-dihydroxy-2H-naphthalene-1-sulfonic acid;naphthalene?
The canonical SMILES for 1,2-dihydroxy-2H-naphthalene-1-sulfonic acid;naphthalene is O=S(=O)(O)C1(O)c2ccccc2C=CC1O.c1ccc2ccccc2c1.
What is the InChIKey of 1,2-dihydroxy-2H-naphthalene-1-sulfonic acid;naphthalene?
The InChIKey is YCIGIZMSBZHCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5S.C10H8/c11-9-6-5-7-3-1-2-4-8(7)10(9,12)16(13,14)15;1-2-6-10-8-4-3-7-9(10)5-1/h1-6,9,11-12H,(H,13,14,15);1-8H.
What are the key properties of 1,2-dihydroxy-2H-naphthalene-1-sulfonic acid;naphthalene?
1,2-dihydroxy-2H-naphthalene-1-sulfonic acid;naphthalene has a molecular weight of 370.43 g/mol, XLogP of 2.95, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxy-2H-naphthalene-1-sulfonic acid;naphthalene is sourced from PubChem (CID 175420156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).