4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-dione

C20H24O3 — CID 13497961

IUPAC4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-dione
SMILESCC1=C(c2cc(C(C)C)c(O)cc2C)C=C(C(C)C)C(=O)C1=O
InChIInChI=1S/C20H24O3/c1-10(2)14-8-16(12(5)7-18(14)21)17-9-15(11(3)4)20(23)19(22)13(17)6/h7-11,21H,1-6H3
InChIKeySFQOHOOISXSOPJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.33
Rot. Bonds3

About 4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-dione

4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-dione (PubChem CID 13497961) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-dione.

Molecular Properties

Compound Name4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-dione
PubChem CID13497961
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-dione
SMILESCC1=C(c2cc(C(C)C)c(O)cc2C)C=C(C(C)C)C(=O)C1=O
InChIInChI=1S/C20H24O3/c1-10(2)14-8-16(12(5)7-18(14)21)17-9-15(11(3)4)20(23)19(22)13(17)6/h7-11,21H,1-6H3
InChIKeySFQOHOOISXSOPJ-UHFFFAOYSA-N
XLogP4.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-dione?
The IUPAC name of 4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-dione (CID 13497961) is 4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-dione.
What is the SMILES notation for 4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-dione?
The canonical SMILES for 4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-dione is CC1=C(c2cc(C(C)C)c(O)cc2C)C=C(C(C)C)C(=O)C1=O.
What is the InChIKey of 4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-dione?
The InChIKey is SFQOHOOISXSOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-10(2)14-8-16(12(5)7-18(14)21)17-9-15(11(3)4)20(23)19(22)13(17)6/h7-11,21H,1-6H3.
What are the key properties of 4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-dione?
4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-dione has a molecular weight of 312.41 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-dione is sourced from PubChem (CID 13497961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).