6-aminobenzo[a]anthracen-5-ol

C18H13NO — CID 131861794

IUPAC6-aminobenzo[a]anthracen-5-ol
SMILESNc1c(O)c2ccccc2c2cc3ccccc3cc12
InChIInChI=1S/C18H13NO/c19-17-16-10-12-6-2-1-5-11(12)9-15(16)13-7-3-4-8-14(13)18(17)20/h1-10,20H,19H2
InChIKeyCRMYYNNPPUDULC-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.43
Rot. Bonds

About 6-aminobenzo[a]anthracen-5-ol

6-aminobenzo[a]anthracen-5-ol (PubChem CID 131861794) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-aminobenzo[a]anthracen-5-ol.

Molecular Properties

Compound Name6-aminobenzo[a]anthracen-5-ol
PubChem CID131861794
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Name6-aminobenzo[a]anthracen-5-ol
SMILESNc1c(O)c2ccccc2c2cc3ccccc3cc12
InChIInChI=1S/C18H13NO/c19-17-16-10-12-6-2-1-5-11(12)9-15(16)13-7-3-4-8-14(13)18(17)20/h1-10,20H,19H2
InChIKeyCRMYYNNPPUDULC-UHFFFAOYSA-N
XLogP4.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(12),2,4,6,8,10,13,15,17,19,21-undecaene
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2-aminonaphthalene-1,3-diol
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decacyclo[20.20.0.03,20.05,18.06,11.012,17.024,41.026,39.028,37.030,35]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
CID 90817842
1,4-diaminonaphthalene-2,3-diol
CID 82254150
dodecacyclo[29.12.4.42,15.116,20.121,25.126,30.06,11.034,46.035,40.041,45.05,53.012,52]tetrapentaconta-1(44),2(54),3,5(53),6,8,10,12(52),13,15(51),16,18,20(50),21(49),22,24,26(48),27,29,31(47),32,34(46),35,37,39,41(45),42-heptacosaene
CID 140743025
3-aminoanthracene-2,9,10-triol
CID 90904436
tetracyclo[8.6.0.03,8.012,15]hexadeca-1,3,5,7,9,11,15-heptaene-11,16-diol
CID 71321539
anthracene-1,2,10-triol
CID 11342
5,12-dichlorotetracene
CID 87498157
nonacyclo[18.14.0.02,17.05,16.06,15.08,13.021,32.022,31.024,29]tetratriaconta-1(20),2(17),3,5(16),6,8,10,12,14,18,21(32),22,24,26,28,30,33-heptadecaene
CID 166446594
3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid
CID 101198518
3-amino-1,4-dihydroxynaphthalene-2-carbaldehyde
CID 59553034

Frequently Asked Questions

What is the IUPAC name of 6-aminobenzo[a]anthracen-5-ol?
The IUPAC name of 6-aminobenzo[a]anthracen-5-ol (CID 131861794) is 6-aminobenzo[a]anthracen-5-ol.
What is the SMILES notation for 6-aminobenzo[a]anthracen-5-ol?
The canonical SMILES for 6-aminobenzo[a]anthracen-5-ol is Nc1c(O)c2ccccc2c2cc3ccccc3cc12.
What is the InChIKey of 6-aminobenzo[a]anthracen-5-ol?
The InChIKey is CRMYYNNPPUDULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO/c19-17-16-10-12-6-2-1-5-11(12)9-15(16)13-7-3-4-8-14(13)18(17)20/h1-10,20H,19H2.
What are the key properties of 6-aminobenzo[a]anthracen-5-ol?
6-aminobenzo[a]anthracen-5-ol has a molecular weight of 259.31 g/mol, XLogP of 4.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminobenzo[a]anthracen-5-ol is sourced from PubChem (CID 131861794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).