3-methoxy-4-(3-methylbut-3-enyl)-5-phenylphenol

C18H20O2 — CID 18546454

IUPAC3-methoxy-4-(3-methylbut-3-enyl)-5-phenylphenol
SMILESC=C(C)CCc1c(OC)cc(O)cc1-c1ccccc1
InChIInChI=1S/C18H20O2/c1-13(2)9-10-16-17(14-7-5-4-6-8-14)11-15(19)12-18(16)20-3/h4-8,11-12,19H,1,9-10H2,2-3H3
InChIKeyCQDMSMFBQXIYMH-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.58
Rot. Bonds5

About 3-methoxy-4-(3-methylbut-3-enyl)-5-phenylphenol

3-methoxy-4-(3-methylbut-3-enyl)-5-phenylphenol (PubChem CID 18546454) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-methoxy-4-(3-methylbut-3-enyl)-5-phenylphenol.

Molecular Properties

Compound Name3-methoxy-4-(3-methylbut-3-enyl)-5-phenylphenol
PubChem CID18546454
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name3-methoxy-4-(3-methylbut-3-enyl)-5-phenylphenol
SMILESC=C(C)CCc1c(OC)cc(O)cc1-c1ccccc1
InChIInChI=1S/C18H20O2/c1-13(2)9-10-16-17(14-7-5-4-6-8-14)11-15(19)12-18(16)20-3/h4-8,11-12,19H,1,9-10H2,2-3H3
InChIKeyCQDMSMFBQXIYMH-UHFFFAOYSA-N
XLogP4.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-(3-methylbut-3-enyl)-5-(2-phenylprop-1-enyl)phenol
CID 154074924
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
5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-3-enyl)chromen-4-one
CID 141471053
6-[2-(2,6-dimethoxyphenyl)ethenyl]-2-hydroxy-4-methoxy-3-(3-methylbut-3-enyl)benzoic acid
CID 154074952
1-(3-methylbut-3-enyl)-3-phenylbenzene
CID 143843043
methyl 6-[(E)-2-(2-fluorophenyl)ethenyl]-2-hydroxy-4-methoxy-3-(3-methylbut-3-enyl)benzoate
CID 141383209
1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene
CID 146002715
2-(4-methoxy-3-phenylphenyl)ethanol
CID 117328990
4-methoxy-3-(3-methylbut-3-enyl)-2-oxalooxy-6-(2-phenylethenyl)benzoic acid
CID 154076809
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(3-methylbut-3-enyl)-5-phenylphenol?
The IUPAC name of 3-methoxy-4-(3-methylbut-3-enyl)-5-phenylphenol (CID 18546454) is 3-methoxy-4-(3-methylbut-3-enyl)-5-phenylphenol.
What is the SMILES notation for 3-methoxy-4-(3-methylbut-3-enyl)-5-phenylphenol?
The canonical SMILES for 3-methoxy-4-(3-methylbut-3-enyl)-5-phenylphenol is C=C(C)CCc1c(OC)cc(O)cc1-c1ccccc1.
What is the InChIKey of 3-methoxy-4-(3-methylbut-3-enyl)-5-phenylphenol?
The InChIKey is CQDMSMFBQXIYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-13(2)9-10-16-17(14-7-5-4-6-8-14)11-15(19)12-18(16)20-3/h4-8,11-12,19H,1,9-10H2,2-3H3.
What are the key properties of 3-methoxy-4-(3-methylbut-3-enyl)-5-phenylphenol?
3-methoxy-4-(3-methylbut-3-enyl)-5-phenylphenol has a molecular weight of 268.36 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(3-methylbut-3-enyl)-5-phenylphenol is sourced from PubChem (CID 18546454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).