2-methyl-4-prop-2-enyl-6-[4-[(E)-prop-1-enyl]phenyl]phenol

C19H20O — CID 135232216

IUPAC2-methyl-4-prop-2-enyl-6-[4-[(E)-prop-1-enyl]phenyl]phenol
SMILESC=CCc1cc(C)c(O)c(-c2ccc(/C=C/C)cc2)c1
InChIInChI=1S/C19H20O/c1-4-6-15-8-10-17(11-9-15)18-13-16(7-5-2)12-14(3)19(18)20/h4-6,8-13,20H,2,7H2,1,3H3/b6-4+
InChIKeyVVWJEXMSQQTUCP-GQCTYLIASA-N
MW264.37 g/mol
LogP5.13
Rot. Bonds4

About 2-methyl-4-prop-2-enyl-6-[4-[(E)-prop-1-enyl]phenyl]phenol

2-methyl-4-prop-2-enyl-6-[4-[(E)-prop-1-enyl]phenyl]phenol (PubChem CID 135232216) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methyl-4-prop-2-enyl-6-[4-[(E)-prop-1-enyl]phenyl]phenol.

Molecular Properties

Compound Name2-methyl-4-prop-2-enyl-6-[4-[(E)-prop-1-enyl]phenyl]phenol
PubChem CID135232216
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name2-methyl-4-prop-2-enyl-6-[4-[(E)-prop-1-enyl]phenyl]phenol
SMILESC=CCc1cc(C)c(O)c(-c2ccc(/C=C/C)cc2)c1
InChIInChI=1S/C19H20O/c1-4-6-15-8-10-17(11-9-15)18-13-16(7-5-2)12-14(3)19(18)20/h4-6,8-13,20H,2,7H2,1,3H3/b6-4+
InChIKeyVVWJEXMSQQTUCP-GQCTYLIASA-N
XLogP5.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.37
LogP ≤ 55.13
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-methyl-4-prop-2-enyl-6-[4-[(E)-prop-1-enyl]phenyl]phenol?
The IUPAC name of 2-methyl-4-prop-2-enyl-6-[4-[(E)-prop-1-enyl]phenyl]phenol (CID 135232216) is 2-methyl-4-prop-2-enyl-6-[4-[(E)-prop-1-enyl]phenyl]phenol.
What is the SMILES notation for 2-methyl-4-prop-2-enyl-6-[4-[(E)-prop-1-enyl]phenyl]phenol?
The canonical SMILES for 2-methyl-4-prop-2-enyl-6-[4-[(E)-prop-1-enyl]phenyl]phenol is C=CCc1cc(C)c(O)c(-c2ccc(/C=C/C)cc2)c1.
What is the InChIKey of 2-methyl-4-prop-2-enyl-6-[4-[(E)-prop-1-enyl]phenyl]phenol?
The InChIKey is VVWJEXMSQQTUCP-GQCTYLIASA-N. The full InChI is InChI=1S/C19H20O/c1-4-6-15-8-10-17(11-9-15)18-13-16(7-5-2)12-14(3)19(18)20/h4-6,8-13,20H,2,7H2,1,3H3/b6-4+.
What are the key properties of 2-methyl-4-prop-2-enyl-6-[4-[(E)-prop-1-enyl]phenyl]phenol?
2-methyl-4-prop-2-enyl-6-[4-[(E)-prop-1-enyl]phenyl]phenol has a molecular weight of 264.37 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-prop-2-enyl-6-[4-[(E)-prop-1-enyl]phenyl]phenol is sourced from PubChem (CID 135232216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).