[10-(4-tert-butylphenyl)sulfanylanthracen-9-yl]methanol

C25H24OS — CID 23907756

IUPAC[10-(4-tert-butylphenyl)sulfanylanthracen-9-yl]methanol
SMILESCC(C)(C)c1ccc(Sc2c3ccccc3c(CO)c3ccccc23)cc1
InChIInChI=1S/C25H24OS/c1-25(2,3)17-12-14-18(15-13-17)27-24-21-10-6-4-8-19(21)23(16-26)20-9-5-7-11-22(20)24/h4-15,26H,16H2,1-3H3
InChIKeyAAMQJLKTNQNWRC-UHFFFAOYSA-N
MW372.53 g/mol
LogP6.93
Rot. Bonds3

About [10-(4-tert-butylphenyl)sulfanylanthracen-9-yl]methanol

[10-(4-tert-butylphenyl)sulfanylanthracen-9-yl]methanol (PubChem CID 23907756) has the molecular formula C25H24OS and a molecular weight of 372.53 g/mol. Its IUPAC name is [10-(4-tert-butylphenyl)sulfanylanthracen-9-yl]methanol.

Molecular Properties

Compound Name[10-(4-tert-butylphenyl)sulfanylanthracen-9-yl]methanol
PubChem CID23907756
Molecular FormulaC25H24OS
Molecular Weight372.53 g/mol
Exact Mass372.15
IUPAC Name[10-(4-tert-butylphenyl)sulfanylanthracen-9-yl]methanol
SMILESCC(C)(C)c1ccc(Sc2c3ccccc3c(CO)c3ccccc23)cc1
InChIInChI=1S/C25H24OS/c1-25(2,3)17-12-14-18(15-13-17)27-24-21-10-6-4-8-19(21)23(16-26)20-9-5-7-11-22(20)24/h4-15,26H,16H2,1-3H3
InChIKeyAAMQJLKTNQNWRC-UHFFFAOYSA-N
XLogP6.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.53
LogP ≤ 56.93
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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Frequently Asked Questions

What is the IUPAC name of [10-(4-tert-butylphenyl)sulfanylanthracen-9-yl]methanol?
The IUPAC name of [10-(4-tert-butylphenyl)sulfanylanthracen-9-yl]methanol (CID 23907756) is [10-(4-tert-butylphenyl)sulfanylanthracen-9-yl]methanol.
What is the SMILES notation for [10-(4-tert-butylphenyl)sulfanylanthracen-9-yl]methanol?
The canonical SMILES for [10-(4-tert-butylphenyl)sulfanylanthracen-9-yl]methanol is CC(C)(C)c1ccc(Sc2c3ccccc3c(CO)c3ccccc23)cc1.
What is the InChIKey of [10-(4-tert-butylphenyl)sulfanylanthracen-9-yl]methanol?
The InChIKey is AAMQJLKTNQNWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24OS/c1-25(2,3)17-12-14-18(15-13-17)27-24-21-10-6-4-8-19(21)23(16-26)20-9-5-7-11-22(20)24/h4-15,26H,16H2,1-3H3.
What are the key properties of [10-(4-tert-butylphenyl)sulfanylanthracen-9-yl]methanol?
[10-(4-tert-butylphenyl)sulfanylanthracen-9-yl]methanol has a molecular weight of 372.53 g/mol, XLogP of 6.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(4-tert-butylphenyl)sulfanylanthracen-9-yl]methanol is sourced from PubChem (CID 23907756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).