1-(3-aminophenyl)-6-(3-hydroxyphenyl)naphthalen-2-ol

C22H17NO2 — CID 25074167

IUPAC1-(3-aminophenyl)-6-(3-hydroxyphenyl)naphthalen-2-ol
SMILESNc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1
InChIInChI=1S/C22H17NO2/c23-18-5-1-4-17(12-18)22-20-9-7-15(11-16(20)8-10-21(22)25)14-3-2-6-19(24)13-14/h1-13,24-25H,23H2
InChIKeyDMEBSJDKEXDYPF-UHFFFAOYSA-N
MW327.38 g/mol
LogP5.17
Rot. Bonds2

About 1-(3-aminophenyl)-6-(3-hydroxyphenyl)naphthalen-2-ol

1-(3-aminophenyl)-6-(3-hydroxyphenyl)naphthalen-2-ol (PubChem CID 25074167) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-(3-aminophenyl)-6-(3-hydroxyphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(3-aminophenyl)-6-(3-hydroxyphenyl)naphthalen-2-ol
PubChem CID25074167
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name1-(3-aminophenyl)-6-(3-hydroxyphenyl)naphthalen-2-ol
SMILESNc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1
InChIInChI=1S/C22H17NO2/c23-18-5-1-4-17(12-18)22-20-9-7-15(11-16(20)8-10-21(22)25)14-3-2-6-19(24)13-14/h1-13,24-25H,23H2
InChIKeyDMEBSJDKEXDYPF-UHFFFAOYSA-N
XLogP5.17
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-Amino-2-naphthalenol
CID 8358
7-Amino-2-naphthalenol
CID 66732
Vitamin K5
CID 6754
5-Amino-2-naphthol
CID 6865
7-Amino-1-naphthol
CID 40116
3-Hydroxy-1-nitropyrene
CID 104936
6-Hydroxy-1-nitropyrene
CID 104988
8-Hydroxy-1-nitropyrene
CID 105022
6-Aminonaphthol
CID 90295
5-Amino-1-naphthol
CID 65746
9,10-Anthracenediol, 1,4-diamino-
CID 21402
Mls002667152
CID 240953

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-6-(3-hydroxyphenyl)naphthalen-2-ol?
The IUPAC name of 1-(3-aminophenyl)-6-(3-hydroxyphenyl)naphthalen-2-ol (CID 25074167) is 1-(3-aminophenyl)-6-(3-hydroxyphenyl)naphthalen-2-ol.
What is the SMILES notation for 1-(3-aminophenyl)-6-(3-hydroxyphenyl)naphthalen-2-ol?
The canonical SMILES for 1-(3-aminophenyl)-6-(3-hydroxyphenyl)naphthalen-2-ol is Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1.
What is the InChIKey of 1-(3-aminophenyl)-6-(3-hydroxyphenyl)naphthalen-2-ol?
The InChIKey is DMEBSJDKEXDYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c23-18-5-1-4-17(12-18)22-20-9-7-15(11-16(20)8-10-21(22)25)14-3-2-6-19(24)13-14/h1-13,24-25H,23H2.
What are the key properties of 1-(3-aminophenyl)-6-(3-hydroxyphenyl)naphthalen-2-ol?
1-(3-aminophenyl)-6-(3-hydroxyphenyl)naphthalen-2-ol has a molecular weight of 327.38 g/mol, XLogP of 5.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-6-(3-hydroxyphenyl)naphthalen-2-ol is sourced from PubChem (CID 25074167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).