2-hydroxybenzamide;1,2,3,4-tetrahydrochrysene

C25H23NO2 — CID 174920657

IUPAC2-hydroxybenzamide;1,2,3,4-tetrahydrochrysene
SMILESNC(=O)c1ccccc1O.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3
InChIInChI=1S/C18H16.C7H7NO2/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;8-7(10)5-3-1-2-4-6(5)9/h1,3,5,7,9-12H,2,4,6,8H2;1-4,9H,(H2,8,10)
InChIKeyPHIRLOHUTGOVME-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.36
Rot. Bonds1

About 2-hydroxybenzamide;1,2,3,4-tetrahydrochrysene

2-hydroxybenzamide;1,2,3,4-tetrahydrochrysene (PubChem CID 174920657) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-hydroxybenzamide;1,2,3,4-tetrahydrochrysene.

Molecular Properties

Compound Name2-hydroxybenzamide;1,2,3,4-tetrahydrochrysene
PubChem CID174920657
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name2-hydroxybenzamide;1,2,3,4-tetrahydrochrysene
SMILESNC(=O)c1ccccc1O.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3
InChIInChI=1S/C18H16.C7H7NO2/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;8-7(10)5-3-1-2-4-6(5)9/h1,3,5,7,9-12H,2,4,6,8H2;1-4,9H,(H2,8,10)
InChIKeyPHIRLOHUTGOVME-UHFFFAOYSA-N
XLogP5.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phthalic acid;1,2,3,4-tetrahydrochrysene
CID 174257293
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methane;1,2,3,4-tetrahydrochrysene
CID 174298676
palladium;1,2,3,4-tetrahydrochrysene
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benzene;1,2,3,4-tetrahydrochrysene
CID 174248896
phenol;1,2,3,4-tetrahydrochrysene
CID 174851188
CID 174884926
CID 174884926
benzene;methane;1,2,3,4-tetrahydrochrysene
CID 174815578
2,2-dimethylpropane-1,3-diol;phthalic acid;1,2,3,4-tetrahydrochrysene
CID 174280624
bis(oxiran-2-ylmethyl) benzene-1,2-dicarboxylate;1,2,3,4-tetrahydrochrysene
CID 174602461
1-hydroxypentan-2-one;1,2,3,4-tetrahydrochrysene
CID 174551823

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzamide;1,2,3,4-tetrahydrochrysene?
The IUPAC name of 2-hydroxybenzamide;1,2,3,4-tetrahydrochrysene (CID 174920657) is 2-hydroxybenzamide;1,2,3,4-tetrahydrochrysene.
What is the SMILES notation for 2-hydroxybenzamide;1,2,3,4-tetrahydrochrysene?
The canonical SMILES for 2-hydroxybenzamide;1,2,3,4-tetrahydrochrysene is NC(=O)c1ccccc1O.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.
What is the InChIKey of 2-hydroxybenzamide;1,2,3,4-tetrahydrochrysene?
The InChIKey is PHIRLOHUTGOVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C7H7NO2/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;8-7(10)5-3-1-2-4-6(5)9/h1,3,5,7,9-12H,2,4,6,8H2;1-4,9H,(H2,8,10).
What are the key properties of 2-hydroxybenzamide;1,2,3,4-tetrahydrochrysene?
2-hydroxybenzamide;1,2,3,4-tetrahydrochrysene has a molecular weight of 369.46 g/mol, XLogP of 5.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzamide;1,2,3,4-tetrahydrochrysene is sourced from PubChem (CID 174920657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).