3-hydroxytetracene-1-carbonitrile

C19H11NO — CID 175535585

IUPAC3-hydroxytetracene-1-carbonitrile
SMILESN#Cc1cc(O)cc2cc3cc4ccccc4cc3cc12
InChIInChI=1S/C19H11NO/c20-11-17-9-18(21)8-16-7-14-5-12-3-1-2-4-13(12)6-15(14)10-19(16)17/h1-10,21H
InChIKeyCZHLIAAUHMNQCR-UHFFFAOYSA-N
MW269.30 g/mol
LogP4.72
Rot. Bonds

About 3-hydroxytetracene-1-carbonitrile

3-hydroxytetracene-1-carbonitrile (PubChem CID 175535585) has the molecular formula C19H11NO and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-hydroxytetracene-1-carbonitrile.

Molecular Properties

Compound Name3-hydroxytetracene-1-carbonitrile
PubChem CID175535585
Molecular FormulaC19H11NO
Molecular Weight269.30 g/mol
Exact Mass269.08
IUPAC Name3-hydroxytetracene-1-carbonitrile
SMILESN#Cc1cc(O)cc2cc3cc4ccccc4cc3cc12
InChIInChI=1S/C19H11NO/c20-11-17-9-18(21)8-16-7-14-5-12-3-1-2-4-13(12)6-15(14)10-19(16)17/h1-10,21H
InChIKeyCZHLIAAUHMNQCR-UHFFFAOYSA-N
XLogP4.72
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

anthracene-1-carbonitrile
CID 3036603
hexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene-14,15-dicarbonitrile
CID 139436117
naphthalene-2,3-dicarbonitrile
CID 601270
heptacen-1-ol
CID 150633624
6-hydroxy-8-iodonaphthalene-1-carbonitrile
CID 170185946
1-phenylanthracene-2-carbonitrile
CID 175261517
8-chlorotricyclo[5.3.1.12,6]dodeca-1(11),2(12),3,5,7,9-hexaen-4-ol
CID 91434593
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
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
3-azapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),3,5,8(13),9,11,14,16,18,20-undecaene-10,11-dicarbonitrile
CID 139436354
6-azapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),3,5,8(13),9,11,14,16,18,20-undecaene-10,11-dicarbonitrile
CID 139436457
3-ethylnaphthalene-2-carbonitrile
CID 54005757

Frequently Asked Questions

What is the IUPAC name of 3-hydroxytetracene-1-carbonitrile?
The IUPAC name of 3-hydroxytetracene-1-carbonitrile (CID 175535585) is 3-hydroxytetracene-1-carbonitrile.
What is the SMILES notation for 3-hydroxytetracene-1-carbonitrile?
The canonical SMILES for 3-hydroxytetracene-1-carbonitrile is N#Cc1cc(O)cc2cc3cc4ccccc4cc3cc12.
What is the InChIKey of 3-hydroxytetracene-1-carbonitrile?
The InChIKey is CZHLIAAUHMNQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11NO/c20-11-17-9-18(21)8-16-7-14-5-12-3-1-2-4-13(12)6-15(14)10-19(16)17/h1-10,21H.
What are the key properties of 3-hydroxytetracene-1-carbonitrile?
3-hydroxytetracene-1-carbonitrile has a molecular weight of 269.30 g/mol, XLogP of 4.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxytetracene-1-carbonitrile is sourced from PubChem (CID 175535585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).