10-(4-hydroxybutyl)anthracene-9-carbaldehyde

C19H18O2 — CID 88972834

IUPAC10-(4-hydroxybutyl)anthracene-9-carbaldehyde
SMILESO=Cc1c2ccccc2c(CCCCO)c2ccccc12
InChIInChI=1S/C19H18O2/c20-12-6-5-11-14-15-7-1-3-9-17(15)19(13-21)18-10-4-2-8-16(14)18/h1-4,7-10,13,20H,5-6,11-12H2
InChIKeyDALXUCLJNTUFTQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.12
Rot. Bonds5

About 10-(4-hydroxybutyl)anthracene-9-carbaldehyde

10-(4-hydroxybutyl)anthracene-9-carbaldehyde (PubChem CID 88972834) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 10-(4-hydroxybutyl)anthracene-9-carbaldehyde.

Molecular Properties

Compound Name10-(4-hydroxybutyl)anthracene-9-carbaldehyde
PubChem CID88972834
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name10-(4-hydroxybutyl)anthracene-9-carbaldehyde
SMILESO=Cc1c2ccccc2c(CCCCO)c2ccccc12
InChIInChI=1S/C19H18O2/c20-12-6-5-11-14-15-7-1-3-9-17(15)19(13-21)18-10-4-2-8-16(14)18/h1-4,7-10,13,20H,5-6,11-12H2
InChIKeyDALXUCLJNTUFTQ-UHFFFAOYSA-N
XLogP4.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(4-hydroxybutyl)anthracene-9-carbaldehyde?
The IUPAC name of 10-(4-hydroxybutyl)anthracene-9-carbaldehyde (CID 88972834) is 10-(4-hydroxybutyl)anthracene-9-carbaldehyde.
What is the SMILES notation for 10-(4-hydroxybutyl)anthracene-9-carbaldehyde?
The canonical SMILES for 10-(4-hydroxybutyl)anthracene-9-carbaldehyde is O=Cc1c2ccccc2c(CCCCO)c2ccccc12.
What is the InChIKey of 10-(4-hydroxybutyl)anthracene-9-carbaldehyde?
The InChIKey is DALXUCLJNTUFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c20-12-6-5-11-14-15-7-1-3-9-17(15)19(13-21)18-10-4-2-8-16(14)18/h1-4,7-10,13,20H,5-6,11-12H2.
What are the key properties of 10-(4-hydroxybutyl)anthracene-9-carbaldehyde?
10-(4-hydroxybutyl)anthracene-9-carbaldehyde has a molecular weight of 278.35 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-hydroxybutyl)anthracene-9-carbaldehyde is sourced from PubChem (CID 88972834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).