5-(2-ethenyl-6-fluorophenyl)-3-methoxy-2-(3-methylbut-2-enyl)phenol

C20H21FO2 — CID 141326802

IUPAC5-(2-ethenyl-6-fluorophenyl)-3-methoxy-2-(3-methylbut-2-enyl)phenol
SMILESC=Cc1cccc(F)c1-c1cc(O)c(CC=C(C)C)c(OC)c1
InChIInChI=1S/C20H21FO2/c1-5-14-7-6-8-17(21)20(14)15-11-18(22)16(10-9-13(2)3)19(12-15)23-4/h5-9,11-12,22H,1,10H2,2-4H3
InChIKeyIIQAEIBPJRQEOM-UHFFFAOYSA-N
MW312.38 g/mol
LogP5.36
Rot. Bonds5

About 5-(2-ethenyl-6-fluorophenyl)-3-methoxy-2-(3-methylbut-2-enyl)phenol

5-(2-ethenyl-6-fluorophenyl)-3-methoxy-2-(3-methylbut-2-enyl)phenol (PubChem CID 141326802) has the molecular formula C20H21FO2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 5-(2-ethenyl-6-fluorophenyl)-3-methoxy-2-(3-methylbut-2-enyl)phenol.

Molecular Properties

Compound Name5-(2-ethenyl-6-fluorophenyl)-3-methoxy-2-(3-methylbut-2-enyl)phenol
PubChem CID141326802
Molecular FormulaC20H21FO2
Molecular Weight312.38 g/mol
Exact Mass312.15
IUPAC Name5-(2-ethenyl-6-fluorophenyl)-3-methoxy-2-(3-methylbut-2-enyl)phenol
SMILESC=Cc1cccc(F)c1-c1cc(O)c(CC=C(C)C)c(OC)c1
InChIInChI=1S/C20H21FO2/c1-5-14-7-6-8-17(21)20(14)15-11-18(22)16(10-9-13(2)3)19(12-15)23-4/h5-9,11-12,22H,1,10H2,2-4H3
InChIKeyIIQAEIBPJRQEOM-UHFFFAOYSA-N
XLogP5.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.38
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2-ethenyl-6-fluorophenyl)-3-methoxy-2-(3-methylbut-2-enyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene
CID 54284542
ethane;1-ethenyl-3-methoxy-2-(4-methylphenyl)benzene
CID 145480510
5-methoxy-2-(3-methylbut-2-enyl)benzene-1,3-diol
CID 91064206
1-ethenyl-2,4-dimethyl-3-(3-methylbut-2-enyl)benzene
CID 142980619
3-methoxy-5-[(E)-2-(3-methoxy-2-pyridinyl)ethenyl]-2-(3-methylbut-2-enyl)phenol
CID 121371140
2-(4-fluoro-3-methoxyphenyl)-5,7-dihydroxy-3-methoxy-6,8-bis(3-methylbut-2-enyl)chromen-4-one
CID 57405210
3-[3-(2-ethenyl-6-methoxyphenyl)phenyl]propan-1-amine
CID 141222955
4-[2-[3,5-dimethoxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]phenol
CID 78200712
5-[(E)-2-(4,6-dimethoxy-3-pyridinyl)ethenyl]-3-methoxy-2-(3-methylbut-2-enyl)phenol
CID 86342922
7-hydroxy-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 142452031
(2R,3R)-2-(2,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 102444397
2-(3-fluoro-4-hydroxyphenyl)-3-methoxy-6,8-bis(3-methylbut-2-enyl)-4H-chromene-5,7-diol
CID 141291782

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethenyl-6-fluorophenyl)-3-methoxy-2-(3-methylbut-2-enyl)phenol?
The IUPAC name of 5-(2-ethenyl-6-fluorophenyl)-3-methoxy-2-(3-methylbut-2-enyl)phenol (CID 141326802) is 5-(2-ethenyl-6-fluorophenyl)-3-methoxy-2-(3-methylbut-2-enyl)phenol.
What is the SMILES notation for 5-(2-ethenyl-6-fluorophenyl)-3-methoxy-2-(3-methylbut-2-enyl)phenol?
The canonical SMILES for 5-(2-ethenyl-6-fluorophenyl)-3-methoxy-2-(3-methylbut-2-enyl)phenol is C=Cc1cccc(F)c1-c1cc(O)c(CC=C(C)C)c(OC)c1.
What is the InChIKey of 5-(2-ethenyl-6-fluorophenyl)-3-methoxy-2-(3-methylbut-2-enyl)phenol?
The InChIKey is IIQAEIBPJRQEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FO2/c1-5-14-7-6-8-17(21)20(14)15-11-18(22)16(10-9-13(2)3)19(12-15)23-4/h5-9,11-12,22H,1,10H2,2-4H3.
What are the key properties of 5-(2-ethenyl-6-fluorophenyl)-3-methoxy-2-(3-methylbut-2-enyl)phenol?
5-(2-ethenyl-6-fluorophenyl)-3-methoxy-2-(3-methylbut-2-enyl)phenol has a molecular weight of 312.38 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethenyl-6-fluorophenyl)-3-methoxy-2-(3-methylbut-2-enyl)phenol is sourced from PubChem (CID 141326802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).