4-tetracen-1-ylbutan-1-ol

C22H20O — CID 87369368

IUPAC4-tetracen-1-ylbutan-1-ol
SMILESOCCCCc1cccc2cc3cc4ccccc4cc3cc12
InChIInChI=1S/C22H20O/c23-11-4-3-6-16-9-5-10-19-14-20-12-17-7-1-2-8-18(17)13-21(20)15-22(16)19/h1-2,5,7-10,12-15,23H,3-4,6,11H2
InChIKeyMIXSGVPJNILXOU-UHFFFAOYSA-N
MW300.40 g/mol
LogP5.46
Rot. Bonds4

About 4-tetracen-1-ylbutan-1-ol

4-tetracen-1-ylbutan-1-ol (PubChem CID 87369368) has the molecular formula C22H20O and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-tetracen-1-ylbutan-1-ol.

Molecular Properties

Compound Name4-tetracen-1-ylbutan-1-ol
PubChem CID87369368
Molecular FormulaC22H20O
Molecular Weight300.40 g/mol
Exact Mass300.15
IUPAC Name4-tetracen-1-ylbutan-1-ol
SMILESOCCCCc1cccc2cc3cc4ccccc4cc3cc12
InChIInChI=1S/C22H20O/c23-11-4-3-6-16-9-5-10-19-14-20-12-17-7-1-2-8-18(17)13-21(20)15-22(16)19/h1-2,5,7-10,12-15,23H,3-4,6,11H2
InChIKeyMIXSGVPJNILXOU-UHFFFAOYSA-N
XLogP5.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-naphthalen-1-ylpropan-1-ol
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dihydroxy(oxo)phosphanium;1-icosylanthracene
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CID 173167056
CID 173167056
2-tetracen-1-ylacetamide
CID 139927285
1-(chloromethyl)anthracene
CID 18004230
anthracen-1-ylmethanolate
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2-(anthracen-1-ylmethyl)oxirane;hexan-1-ol
CID 175240199
3-anthracen-1-ylpropane-1,2-diol
CID 175541377
3-anthracen-1-ylpropyl 2-methylprop-2-enoate
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benzo[a]anthracen-8-ylmethanol
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Frequently Asked Questions

What is the IUPAC name of 4-tetracen-1-ylbutan-1-ol?
The IUPAC name of 4-tetracen-1-ylbutan-1-ol (CID 87369368) is 4-tetracen-1-ylbutan-1-ol.
What is the SMILES notation for 4-tetracen-1-ylbutan-1-ol?
The canonical SMILES for 4-tetracen-1-ylbutan-1-ol is OCCCCc1cccc2cc3cc4ccccc4cc3cc12.
What is the InChIKey of 4-tetracen-1-ylbutan-1-ol?
The InChIKey is MIXSGVPJNILXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O/c23-11-4-3-6-16-9-5-10-19-14-20-12-17-7-1-2-8-18(17)13-21(20)15-22(16)19/h1-2,5,7-10,12-15,23H,3-4,6,11H2.
What are the key properties of 4-tetracen-1-ylbutan-1-ol?
4-tetracen-1-ylbutan-1-ol has a molecular weight of 300.40 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tetracen-1-ylbutan-1-ol is sourced from PubChem (CID 87369368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).