2-(2-methylprop-2-enyl)-6-[3-(2-methylprop-2-enyl)phenyl]phenol

C20H22O — CID 70366879

IUPAC2-(2-methylprop-2-enyl)-6-[3-(2-methylprop-2-enyl)phenyl]phenol
SMILESC=C(C)Cc1cccc(-c2cccc(CC(=C)C)c2O)c1
InChIInChI=1S/C20H22O/c1-14(2)11-16-7-5-8-17(13-16)19-10-6-9-18(20(19)21)12-15(3)4/h5-10,13,21H,1,3,11-12H2,2,4H3
InChIKeyPGXLEQFZHYUTJM-UHFFFAOYSA-N
MW278.40 g/mol
LogP5.30
Rot. Bonds5

About 2-(2-methylprop-2-enyl)-6-[3-(2-methylprop-2-enyl)phenyl]phenol

2-(2-methylprop-2-enyl)-6-[3-(2-methylprop-2-enyl)phenyl]phenol (PubChem CID 70366879) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-6-[3-(2-methylprop-2-enyl)phenyl]phenol.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-6-[3-(2-methylprop-2-enyl)phenyl]phenol
PubChem CID70366879
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name2-(2-methylprop-2-enyl)-6-[3-(2-methylprop-2-enyl)phenyl]phenol
SMILESC=C(C)Cc1cccc(-c2cccc(CC(=C)C)c2O)c1
InChIInChI=1S/C20H22O/c1-14(2)11-16-7-5-8-17(13-16)19-10-6-9-18(20(19)21)12-15(3)4/h5-10,13,21H,1,3,11-12H2,2,4H3
InChIKeyPGXLEQFZHYUTJM-UHFFFAOYSA-N
XLogP5.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-(2-methylprop-2-enyl)-6-[3-(2-methylprop-2-enyl)phenyl]phenol?
The IUPAC name of 2-(2-methylprop-2-enyl)-6-[3-(2-methylprop-2-enyl)phenyl]phenol (CID 70366879) is 2-(2-methylprop-2-enyl)-6-[3-(2-methylprop-2-enyl)phenyl]phenol.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-6-[3-(2-methylprop-2-enyl)phenyl]phenol?
The canonical SMILES for 2-(2-methylprop-2-enyl)-6-[3-(2-methylprop-2-enyl)phenyl]phenol is C=C(C)Cc1cccc(-c2cccc(CC(=C)C)c2O)c1.
What is the InChIKey of 2-(2-methylprop-2-enyl)-6-[3-(2-methylprop-2-enyl)phenyl]phenol?
The InChIKey is PGXLEQFZHYUTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-14(2)11-16-7-5-8-17(13-16)19-10-6-9-18(20(19)21)12-15(3)4/h5-10,13,21H,1,3,11-12H2,2,4H3.
What are the key properties of 2-(2-methylprop-2-enyl)-6-[3-(2-methylprop-2-enyl)phenyl]phenol?
2-(2-methylprop-2-enyl)-6-[3-(2-methylprop-2-enyl)phenyl]phenol has a molecular weight of 278.40 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-6-[3-(2-methylprop-2-enyl)phenyl]phenol is sourced from PubChem (CID 70366879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).