2,6-dimethyl-4-[(E)-2-(4-propoxyphenyl)ethenyl]phenol

C19H22O2 — CID 14771908

IUPAC2,6-dimethyl-4-[(E)-2-(4-propoxyphenyl)ethenyl]phenol
SMILESCCCOc1ccc(/C=C/c2cc(C)c(O)c(C)c2)cc1
InChIInChI=1S/C19H22O2/c1-4-11-21-18-9-7-16(8-10-18)5-6-17-12-14(2)19(20)15(3)13-17/h5-10,12-13,20H,4,11H2,1-3H3/b6-5+
InChIKeyVRIMEWHKJYSGKF-AATRIKPKSA-N
MW282.38 g/mol
LogP4.97
Rot. Bonds5

About 2,6-dimethyl-4-[(E)-2-(4-propoxyphenyl)ethenyl]phenol

2,6-dimethyl-4-[(E)-2-(4-propoxyphenyl)ethenyl]phenol (PubChem CID 14771908) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(E)-2-(4-propoxyphenyl)ethenyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(E)-2-(4-propoxyphenyl)ethenyl]phenol
PubChem CID14771908
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2,6-dimethyl-4-[(E)-2-(4-propoxyphenyl)ethenyl]phenol
SMILESCCCOc1ccc(/C=C/c2cc(C)c(O)c(C)c2)cc1
InChIInChI=1S/C19H22O2/c1-4-11-21-18-9-7-16(8-10-18)5-6-17-12-14(2)19(20)15(3)13-17/h5-10,12-13,20H,4,11H2,1-3H3/b6-5+
InChIKeyVRIMEWHKJYSGKF-AATRIKPKSA-N
XLogP4.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(E)-2-(4-propoxyphenyl)ethenyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(E)-2-(4-propoxyphenyl)ethenyl]phenol (CID 14771908) is 2,6-dimethyl-4-[(E)-2-(4-propoxyphenyl)ethenyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(E)-2-(4-propoxyphenyl)ethenyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(E)-2-(4-propoxyphenyl)ethenyl]phenol is CCCOc1ccc(/C=C/c2cc(C)c(O)c(C)c2)cc1.
What is the InChIKey of 2,6-dimethyl-4-[(E)-2-(4-propoxyphenyl)ethenyl]phenol?
The InChIKey is VRIMEWHKJYSGKF-AATRIKPKSA-N. The full InChI is InChI=1S/C19H22O2/c1-4-11-21-18-9-7-16(8-10-18)5-6-17-12-14(2)19(20)15(3)13-17/h5-10,12-13,20H,4,11H2,1-3H3/b6-5+.
What are the key properties of 2,6-dimethyl-4-[(E)-2-(4-propoxyphenyl)ethenyl]phenol?
2,6-dimethyl-4-[(E)-2-(4-propoxyphenyl)ethenyl]phenol has a molecular weight of 282.38 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(E)-2-(4-propoxyphenyl)ethenyl]phenol is sourced from PubChem (CID 14771908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).