6-(4-propan-2-ylphenyl)benzene-1,2,3,4,5-pentol

C15H16O5 — CID 163506374

IUPAC6-(4-propan-2-ylphenyl)benzene-1,2,3,4,5-pentol
SMILESCC(C)c1ccc(-c2c(O)c(O)c(O)c(O)c2O)cc1
InChIInChI=1S/C15H16O5/c1-7(2)8-3-5-9(6-4-8)10-11(16)13(18)15(20)14(19)12(10)17/h3-7,16-20H,1-2H3
InChIKeyCYWYTGQXTMWNRQ-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.01
Rot. Bonds2

About 6-(4-propan-2-ylphenyl)benzene-1,2,3,4,5-pentol

6-(4-propan-2-ylphenyl)benzene-1,2,3,4,5-pentol (PubChem CID 163506374) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is 6-(4-propan-2-ylphenyl)benzene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-(4-propan-2-ylphenyl)benzene-1,2,3,4,5-pentol
PubChem CID163506374
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name6-(4-propan-2-ylphenyl)benzene-1,2,3,4,5-pentol
SMILESCC(C)c1ccc(-c2c(O)c(O)c(O)c(O)c2O)cc1
InChIInChI=1S/C15H16O5/c1-7(2)8-3-5-9(6-4-8)10-11(16)13(18)15(20)14(19)12(10)17/h3-7,16-20H,1-2H3
InChIKeyCYWYTGQXTMWNRQ-UHFFFAOYSA-N
XLogP3.01
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-ylphenyl)benzene-1,2,3,4,5-pentol?
The IUPAC name of 6-(4-propan-2-ylphenyl)benzene-1,2,3,4,5-pentol (CID 163506374) is 6-(4-propan-2-ylphenyl)benzene-1,2,3,4,5-pentol.
What is the SMILES notation for 6-(4-propan-2-ylphenyl)benzene-1,2,3,4,5-pentol?
The canonical SMILES for 6-(4-propan-2-ylphenyl)benzene-1,2,3,4,5-pentol is CC(C)c1ccc(-c2c(O)c(O)c(O)c(O)c2O)cc1.
What is the InChIKey of 6-(4-propan-2-ylphenyl)benzene-1,2,3,4,5-pentol?
The InChIKey is CYWYTGQXTMWNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-7(2)8-3-5-9(6-4-8)10-11(16)13(18)15(20)14(19)12(10)17/h3-7,16-20H,1-2H3.
What are the key properties of 6-(4-propan-2-ylphenyl)benzene-1,2,3,4,5-pentol?
6-(4-propan-2-ylphenyl)benzene-1,2,3,4,5-pentol has a molecular weight of 276.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-ylphenyl)benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 163506374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).