2-prop-2-enyl-6-[(E)-2-(2,3,4,5-tetramethylcyclopentyl)ethenyl]phenol

C20H28O — CID 170777782

IUPAC2-prop-2-enyl-6-[(E)-2-(2,3,4,5-tetramethylcyclopentyl)ethenyl]phenol
SMILESC=CCc1cccc(/C=C/C2C(C)C(C)C(C)C2C)c1O
InChIInChI=1S/C20H28O/c1-6-8-17-9-7-10-18(20(17)21)11-12-19-15(4)13(2)14(3)16(19)5/h6-7,9-16,19,21H,1,8H2,2-5H3/b12-11+
InChIKeyUSTJJKPNVUDHHV-VAWYXSNFSA-N
MW284.44 g/mol
LogP5.31
Rot. Bonds4

About 2-prop-2-enyl-6-[(E)-2-(2,3,4,5-tetramethylcyclopentyl)ethenyl]phenol

2-prop-2-enyl-6-[(E)-2-(2,3,4,5-tetramethylcyclopentyl)ethenyl]phenol (PubChem CID 170777782) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-prop-2-enyl-6-[(E)-2-(2,3,4,5-tetramethylcyclopentyl)ethenyl]phenol.

Molecular Properties

Compound Name2-prop-2-enyl-6-[(E)-2-(2,3,4,5-tetramethylcyclopentyl)ethenyl]phenol
PubChem CID170777782
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name2-prop-2-enyl-6-[(E)-2-(2,3,4,5-tetramethylcyclopentyl)ethenyl]phenol
SMILESC=CCc1cccc(/C=C/C2C(C)C(C)C(C)C2C)c1O
InChIInChI=1S/C20H28O/c1-6-8-17-9-7-10-18(20(17)21)11-12-19-15(4)13(2)14(3)16(19)5/h6-7,9-16,19,21H,1,8H2,2-5H3/b12-11+
InChIKeyUSTJJKPNVUDHHV-VAWYXSNFSA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2-hydroxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]methyl]-6-prop-2-enylphenol
CID 2279280
2-[(Z)-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]methyl]-6-prop-2-enylphenol
CID 136912023
2-(2-hydroxy-3-prop-2-enylanilino)-6-prop-2-enylphenol
CID 70357054
2-cyclopropyl-6-prop-2-enylphenol
CID 15271682
2-[[(2-hydroxyphenyl)methylhydrazinylidene]methyl]-6-prop-2-enylphenol
CID 137185570
1-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-4,4-dimethylpentane-2-thione
CID 152849020
2-[(Z)-[(4-methoxyphenyl)hydrazinylidene]methyl]-6-prop-2-enylphenol
CID 136919154
2,4,5-tris(prop-2-enyl)phenol
CID 20562879
1-hydroxy-2-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]guanidine
CID 135503417
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
bis(cyclopenta-1,3-diene);bis(2-methyl-6-prop-2-enylphenol);zirconium(2+)
CID 141004924
2-fluoro-3-methyl-6-prop-2-enylphenol
CID 107657766

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-6-[(E)-2-(2,3,4,5-tetramethylcyclopentyl)ethenyl]phenol?
The IUPAC name of 2-prop-2-enyl-6-[(E)-2-(2,3,4,5-tetramethylcyclopentyl)ethenyl]phenol (CID 170777782) is 2-prop-2-enyl-6-[(E)-2-(2,3,4,5-tetramethylcyclopentyl)ethenyl]phenol.
What is the SMILES notation for 2-prop-2-enyl-6-[(E)-2-(2,3,4,5-tetramethylcyclopentyl)ethenyl]phenol?
The canonical SMILES for 2-prop-2-enyl-6-[(E)-2-(2,3,4,5-tetramethylcyclopentyl)ethenyl]phenol is C=CCc1cccc(/C=C/C2C(C)C(C)C(C)C2C)c1O.
What is the InChIKey of 2-prop-2-enyl-6-[(E)-2-(2,3,4,5-tetramethylcyclopentyl)ethenyl]phenol?
The InChIKey is USTJJKPNVUDHHV-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H28O/c1-6-8-17-9-7-10-18(20(17)21)11-12-19-15(4)13(2)14(3)16(19)5/h6-7,9-16,19,21H,1,8H2,2-5H3/b12-11+.
What are the key properties of 2-prop-2-enyl-6-[(E)-2-(2,3,4,5-tetramethylcyclopentyl)ethenyl]phenol?
2-prop-2-enyl-6-[(E)-2-(2,3,4,5-tetramethylcyclopentyl)ethenyl]phenol has a molecular weight of 284.44 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-6-[(E)-2-(2,3,4,5-tetramethylcyclopentyl)ethenyl]phenol is sourced from PubChem (CID 170777782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).