2-cyclopropyl-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol

C17H15FO — CID 130316154

IUPAC2-cyclopropyl-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol
SMILESOc1cc(/C=C/c2ccc(F)cc2)ccc1C1CC1
InChIInChI=1S/C17H15FO/c18-15-8-3-12(4-9-15)1-2-13-5-10-16(14-6-7-14)17(19)11-13/h1-5,8-11,14,19H,6-7H2/b2-1+
InChIKeyMLXLPNICOOJWIL-OWOJBTEDSA-N
MW254.30 g/mol
LogP4.58
Rot. Bonds3

About 2-cyclopropyl-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol

2-cyclopropyl-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol (PubChem CID 130316154) has the molecular formula C17H15FO and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-cyclopropyl-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol.

Molecular Properties

Compound Name2-cyclopropyl-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol
PubChem CID130316154
Molecular FormulaC17H15FO
Molecular Weight254.30 g/mol
Exact Mass254.11
IUPAC Name2-cyclopropyl-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol
SMILESOc1cc(/C=C/c2ccc(F)cc2)ccc1C1CC1
InChIInChI=1S/C17H15FO/c18-15-8-3-12(4-9-15)1-2-13-5-10-16(14-6-7-14)17(19)11-13/h1-5,8-11,14,19H,6-7H2/b2-1+
InChIKeyMLXLPNICOOJWIL-OWOJBTEDSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-2-(4-fluorophenyl)ethenyl]phenol
CID 124660787
5-fluoro-2-[(3S)-pyrrolidin-3-yl]phenol
CID 96744761
1-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]benzene
CID 11148621
2-cyclopentyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 170351043
2-[2-(4-fluorophenyl)ethenyl]-6-[2-[6-[2-(4-fluorophenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalene
CID 72534274
2-cyclohexyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 170350956
4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol
CID 71680339
8-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
CID 51360689
2-cyclohexyl-5-[2-(3,4-difluorophenyl)ethenyl]benzene-1,3-diol
CID 170351252
(E)-3-(4-cyclopropyl-3-fluorophenyl)prop-2-en-1-amine
CID 117282442
3-(4-fluoro-2-hydroxyphenyl)cyclopentan-1-one
CID 130044703
1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene
CID 91179639

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol?
The IUPAC name of 2-cyclopropyl-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol (CID 130316154) is 2-cyclopropyl-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol.
What is the SMILES notation for 2-cyclopropyl-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol?
The canonical SMILES for 2-cyclopropyl-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol is Oc1cc(/C=C/c2ccc(F)cc2)ccc1C1CC1.
What is the InChIKey of 2-cyclopropyl-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol?
The InChIKey is MLXLPNICOOJWIL-OWOJBTEDSA-N. The full InChI is InChI=1S/C17H15FO/c18-15-8-3-12(4-9-15)1-2-13-5-10-16(14-6-7-14)17(19)11-13/h1-5,8-11,14,19H,6-7H2/b2-1+.
What are the key properties of 2-cyclopropyl-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol?
2-cyclopropyl-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol has a molecular weight of 254.30 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[(E)-2-(4-fluorophenyl)ethenyl]phenol is sourced from PubChem (CID 130316154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).