4-naphthalen-2-ylbenzene-1,2,3-triol

C16H12O3 — CID 54019836

IUPAC4-naphthalen-2-ylbenzene-1,2,3-triol
SMILESOc1ccc(-c2ccc3ccccc3c2)c(O)c1O
InChIInChI=1S/C16H12O3/c17-14-8-7-13(15(18)16(14)19)12-6-5-10-3-1-2-4-11(10)9-12/h1-9,17-19H
InChIKeyAUDSRKZKGBCUQD-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.62
Rot. Bonds1

About 4-naphthalen-2-ylbenzene-1,2,3-triol

4-naphthalen-2-ylbenzene-1,2,3-triol (PubChem CID 54019836) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-naphthalen-2-ylbenzene-1,2,3-triol.

Molecular Properties

Compound Name4-naphthalen-2-ylbenzene-1,2,3-triol
PubChem CID54019836
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name4-naphthalen-2-ylbenzene-1,2,3-triol
SMILESOc1ccc(-c2ccc3ccccc3c2)c(O)c1O
InChIInChI=1S/C16H12O3/c17-14-8-7-13(15(18)16(14)19)12-6-5-10-3-1-2-4-11(10)9-12/h1-9,17-19H
InChIKeyAUDSRKZKGBCUQD-UHFFFAOYSA-N
XLogP3.62
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxy-3-naphthalen-2-ylphenyl)-6-naphthalen-2-ylphenol
CID 24741043
2,3-dibromo-6-naphthalen-2-ylphenol
CID 175066666
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
2-amino-3-naphthalen-2-ylphenol
CID 175155889
4-tert-butyl-2-naphthalen-2-ylphenol
CID 118868504
4,5,6-trihydroxy-9-naphthalen-2-ylxanthen-3-one
CID 143760701
4-(3-propan-2-ylphenyl)benzene-1,2,3-triol
CID 54086039
6-(2-hydroxyphenyl)naphthalen-2-ol
CID 11368353
4-[9-(4-hydroxynaphthalen-1-yl)-4,5-dinaphthalen-2-ylfluoren-9-yl]naphthalen-1-ol
CID 142536408
2-[4-[4-[4-(2-hydroxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenol
CID 136621403
9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 123218552
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-ylbenzene-1,2,3-triol?
The IUPAC name of 4-naphthalen-2-ylbenzene-1,2,3-triol (CID 54019836) is 4-naphthalen-2-ylbenzene-1,2,3-triol.
What is the SMILES notation for 4-naphthalen-2-ylbenzene-1,2,3-triol?
The canonical SMILES for 4-naphthalen-2-ylbenzene-1,2,3-triol is Oc1ccc(-c2ccc3ccccc3c2)c(O)c1O.
What is the InChIKey of 4-naphthalen-2-ylbenzene-1,2,3-triol?
The InChIKey is AUDSRKZKGBCUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c17-14-8-7-13(15(18)16(14)19)12-6-5-10-3-1-2-4-11(10)9-12/h1-9,17-19H.
What are the key properties of 4-naphthalen-2-ylbenzene-1,2,3-triol?
4-naphthalen-2-ylbenzene-1,2,3-triol has a molecular weight of 252.27 g/mol, XLogP of 3.62, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-ylbenzene-1,2,3-triol is sourced from PubChem (CID 54019836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).