(E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol

C13H16O — CID 143980341

IUPAC(E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol
SMILESC/C=C/c1cc(C)c(/C=C/O)cc1C
InChIInChI=1S/C13H16O/c1-4-5-12-8-11(3)13(6-7-14)9-10(12)2/h4-9,14H,1-3H3/b5-4+,7-6+
InChIKeyPGYXWIXQYKFWMO-YTXTXJHMSA-N
MW188.27 g/mol
LogP3.87
Rot. Bonds2

About (E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol

(E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol (PubChem CID 143980341) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol.

Molecular Properties

Compound Name(E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol
PubChem CID143980341
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol
SMILESC/C=C/c1cc(C)c(/C=C/O)cc1C
InChIInChI=1S/C13H16O/c1-4-5-12-8-11(3)13(6-7-14)9-10(12)2/h4-9,14H,1-3H3/b5-4+,7-6+
InChIKeyPGYXWIXQYKFWMO-YTXTXJHMSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane
CID 142173958
1,5-dimethyl-2-[(E)-prop-1-enyl]-4-prop-1-en-2-ylbenzene
CID 169185434
1,2,3,4-tetramethyl-5-[(Z)-prop-1-enyl]benzene
CID 159527924
4-methyl-3-prop-1-enylphenol
CID 59722537
1,4-dimethyl-2-phenyl-5-[(E)-prop-1-enyl]benzene
CID 170552806
(Z)-2-(4-fluoro-2-methylphenyl)ethenol
CID 134485397
1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene
CID 143856242
CID 153339822
CID 153339822
1,2,5-trimethyl-4-prop-1-enylpyridin-1-ium
CID 123628819
4-methoxy-1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 89049645
ethane;2-methyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene
CID 145089984
7-methyl-6-[(Z)-prop-1-enyl]quinoline
CID 144659352

Frequently Asked Questions

What is the IUPAC name of (E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol?
The IUPAC name of (E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol (CID 143980341) is (E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol.
What is the SMILES notation for (E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol?
The canonical SMILES for (E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol is C/C=C/c1cc(C)c(/C=C/O)cc1C.
What is the InChIKey of (E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol?
The InChIKey is PGYXWIXQYKFWMO-YTXTXJHMSA-N. The full InChI is InChI=1S/C13H16O/c1-4-5-12-8-11(3)13(6-7-14)9-10(12)2/h4-9,14H,1-3H3/b5-4+,7-6+.
What are the key properties of (E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol?
(E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol has a molecular weight of 188.27 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol is sourced from PubChem (CID 143980341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).