3-methoxy-2-(3-methylbut-3-enyl)-5-(2-phenylprop-1-enyl)phenol

C21H24O2 — CID 154074924

IUPAC3-methoxy-2-(3-methylbut-3-enyl)-5-(2-phenylprop-1-enyl)phenol
SMILESC=C(C)CCc1c(O)cc(C=C(C)c2ccccc2)cc1OC
InChIInChI=1S/C21H24O2/c1-15(2)10-11-19-20(22)13-17(14-21(19)23-4)12-16(3)18-8-6-5-7-9-18/h5-9,12-14,22H,1,10-11H2,2-4H3
InChIKeyJYFAWDLHRDJLQG-UHFFFAOYSA-N
MW308.42 g/mol
LogP5.47
Rot. Bonds6

About 3-methoxy-2-(3-methylbut-3-enyl)-5-(2-phenylprop-1-enyl)phenol

3-methoxy-2-(3-methylbut-3-enyl)-5-(2-phenylprop-1-enyl)phenol (PubChem CID 154074924) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-methoxy-2-(3-methylbut-3-enyl)-5-(2-phenylprop-1-enyl)phenol.

Molecular Properties

Compound Name3-methoxy-2-(3-methylbut-3-enyl)-5-(2-phenylprop-1-enyl)phenol
PubChem CID154074924
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name3-methoxy-2-(3-methylbut-3-enyl)-5-(2-phenylprop-1-enyl)phenol
SMILESC=C(C)CCc1c(O)cc(C=C(C)c2ccccc2)cc1OC
InChIInChI=1S/C21H24O2/c1-15(2)10-11-19-20(22)13-17(14-21(19)23-4)12-16(3)18-8-6-5-7-9-18/h5-9,12-14,22H,1,10-11H2,2-4H3
InChIKeyJYFAWDLHRDJLQG-UHFFFAOYSA-N
XLogP5.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethoxy-5-[(E)-2-phenylprop-1-enyl]-2-propylbenzene
CID 70001014
2-[2-[3-hydroxy-5-methoxy-4-(3-methylbut-3-enyl)phenyl]ethenyl]-1H-pyridin-4-one
CID 154074901
5-(2-cyclohexylethenyl)-3-methoxy-2-(3-methylbut-3-enyl)phenol
CID 154076842
3-methoxy-4-(3-methylbut-3-enyl)-5-phenylphenol
CID 18546454
2-[3-methoxy-2-(3-methylbut-3-enyl)-5-(2-phenylethenyl)phenoxy]-2-oxoacetic acid
CID 154076826
methyl 4,6-dimethoxy-3-(3-methylbut-3-enyl)-2-(2-phenylethenyl)benzoate
CID 154074852
2-hydroxy-4-methoxy-3-(3-methylbut-3-enyl)-6-(4-phenylbut-1-enyl)benzoic acid
CID 154074865
6-[2-(2,6-dimethoxyphenyl)ethenyl]-2-hydroxy-4-methoxy-3-(3-methylbut-3-enyl)benzoic acid
CID 154074952
4-methoxy-3-(3-methylbut-3-enyl)-2-oxalooxy-6-(2-phenylethenyl)benzoic acid
CID 154076809
2-hydroxy-4-methoxy-6-[2-(4-methoxyphenyl)ethenyl]-3-(3-methylbut-3-enyl)benzoic acid
CID 154074948
4-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]-1-[2-[2-[4-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-yl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium
CID 89327878
methyl 6-[(E)-2-(2-fluorophenyl)ethenyl]-2-hydroxy-4-methoxy-3-(3-methylbut-3-enyl)benzoate
CID 141383209

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-methylbut-3-enyl)-5-(2-phenylprop-1-enyl)phenol?
The IUPAC name of 3-methoxy-2-(3-methylbut-3-enyl)-5-(2-phenylprop-1-enyl)phenol (CID 154074924) is 3-methoxy-2-(3-methylbut-3-enyl)-5-(2-phenylprop-1-enyl)phenol.
What is the SMILES notation for 3-methoxy-2-(3-methylbut-3-enyl)-5-(2-phenylprop-1-enyl)phenol?
The canonical SMILES for 3-methoxy-2-(3-methylbut-3-enyl)-5-(2-phenylprop-1-enyl)phenol is C=C(C)CCc1c(O)cc(C=C(C)c2ccccc2)cc1OC.
What is the InChIKey of 3-methoxy-2-(3-methylbut-3-enyl)-5-(2-phenylprop-1-enyl)phenol?
The InChIKey is JYFAWDLHRDJLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-15(2)10-11-19-20(22)13-17(14-21(19)23-4)12-16(3)18-8-6-5-7-9-18/h5-9,12-14,22H,1,10-11H2,2-4H3.
What are the key properties of 3-methoxy-2-(3-methylbut-3-enyl)-5-(2-phenylprop-1-enyl)phenol?
3-methoxy-2-(3-methylbut-3-enyl)-5-(2-phenylprop-1-enyl)phenol has a molecular weight of 308.42 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3-methylbut-3-enyl)-5-(2-phenylprop-1-enyl)phenol is sourced from PubChem (CID 154074924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).