4-ethyl-2-[(E)-3-phenylprop-2-enyl]phenol

C17H18O — CID 12564792

IUPAC4-ethyl-2-[(E)-3-phenylprop-2-enyl]phenol
SMILESCCc1ccc(O)c(C/C=C/c2ccccc2)c1
InChIInChI=1S/C17H18O/c1-2-14-11-12-17(18)16(13-14)10-6-9-15-7-4-3-5-8-15/h3-9,11-13,18H,2,10H2,1H3/b9-6+
InChIKeyTYJSDZIGFICNDG-RMKNXTFCSA-N
MW238.33 g/mol
LogP4.21
Rot. Bonds4

About 4-ethyl-2-[(E)-3-phenylprop-2-enyl]phenol

4-ethyl-2-[(E)-3-phenylprop-2-enyl]phenol (PubChem CID 12564792) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-ethyl-2-[(E)-3-phenylprop-2-enyl]phenol.

Molecular Properties

Compound Name4-ethyl-2-[(E)-3-phenylprop-2-enyl]phenol
PubChem CID12564792
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name4-ethyl-2-[(E)-3-phenylprop-2-enyl]phenol
SMILESCCc1ccc(O)c(C/C=C/c2ccccc2)c1
InChIInChI=1S/C17H18O/c1-2-14-11-12-17(18)16(13-14)10-6-9-15-7-4-3-5-8-15/h3-9,11-13,18H,2,10H2,1H3/b9-6+
InChIKeyTYJSDZIGFICNDG-RMKNXTFCSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methoxy-2-[(Z)-3-phenylprop-2-enyl]phenol
CID 10263673
2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol
CID 14224897
3-(3-phenylprop-2-enyl)benzene-1,2-diol
CID 54349288
5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol
CID 162361461
2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol
CID 6439521
1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene
CID 11746215
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol
CID 15739153
3-hydroxy-4-[(E)-3-phenylprop-2-enyl]benzonitrile
CID 162361494
3,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]phenol
CID 162361453
2,6-ditert-butyl-4-(3-phenylprop-2-enyl)phenol
CID 54063316
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(E)-3-phenylprop-2-enyl]phenol?
The IUPAC name of 4-ethyl-2-[(E)-3-phenylprop-2-enyl]phenol (CID 12564792) is 4-ethyl-2-[(E)-3-phenylprop-2-enyl]phenol.
What is the SMILES notation for 4-ethyl-2-[(E)-3-phenylprop-2-enyl]phenol?
The canonical SMILES for 4-ethyl-2-[(E)-3-phenylprop-2-enyl]phenol is CCc1ccc(O)c(C/C=C/c2ccccc2)c1.
What is the InChIKey of 4-ethyl-2-[(E)-3-phenylprop-2-enyl]phenol?
The InChIKey is TYJSDZIGFICNDG-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H18O/c1-2-14-11-12-17(18)16(13-14)10-6-9-15-7-4-3-5-8-15/h3-9,11-13,18H,2,10H2,1H3/b9-6+.
What are the key properties of 4-ethyl-2-[(E)-3-phenylprop-2-enyl]phenol?
4-ethyl-2-[(E)-3-phenylprop-2-enyl]phenol has a molecular weight of 238.33 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(E)-3-phenylprop-2-enyl]phenol is sourced from PubChem (CID 12564792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).