4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol

C22H26O2 — CID 138664597

IUPAC4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol
SMILESC=CCc1cc(-c2cc(C)c(O)cc2C(C)C)cc(CC=C)c1O
InChIInChI=1S/C22H26O2/c1-6-8-16-11-18(12-17(9-7-2)22(16)24)20-10-15(5)21(23)13-19(20)14(3)4/h6-7,10-14,23-24H,1-2,8-9H2,3-5H3
InChIKeyABBKZMKIMDFLGE-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.65
Rot. Bonds6

About 4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol

4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol (PubChem CID 138664597) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol.

Molecular Properties

Compound Name4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol
PubChem CID138664597
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol
SMILESC=CCc1cc(-c2cc(C)c(O)cc2C(C)C)cc(CC=C)c1O
InChIInChI=1S/C22H26O2/c1-6-8-16-11-18(12-17(9-7-2)22(16)24)20-10-15(5)21(23)13-19(20)14(3)4/h6-7,10-14,23-24H,1-2,8-9H2,3-5H3
InChIKeyABBKZMKIMDFLGE-UHFFFAOYSA-N
XLogP5.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol?
The IUPAC name of 4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol (CID 138664597) is 4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol.
What is the SMILES notation for 4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol?
The canonical SMILES for 4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol is C=CCc1cc(-c2cc(C)c(O)cc2C(C)C)cc(CC=C)c1O.
What is the InChIKey of 4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol?
The InChIKey is ABBKZMKIMDFLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2/c1-6-8-16-11-18(12-17(9-7-2)22(16)24)20-10-15(5)21(23)13-19(20)14(3)4/h6-7,10-14,23-24H,1-2,8-9H2,3-5H3.
What are the key properties of 4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol?
4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol has a molecular weight of 322.45 g/mol, XLogP of 5.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol is sourced from PubChem (CID 138664597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).