5-(2-cyclohexylethenyl)-3-methoxy-2-(3-methylbut-3-enyl)phenol

C20H28O2 — CID 154076842

IUPAC5-(2-cyclohexylethenyl)-3-methoxy-2-(3-methylbut-3-enyl)phenol
SMILESC=C(C)CCc1c(O)cc(C=CC2CCCCC2)cc1OC
InChIInChI=1S/C20H28O2/c1-15(2)9-12-18-19(21)13-17(14-20(18)22-3)11-10-16-7-5-4-6-8-16/h10-11,13-14,16,21H,1,4-9,12H2,2-3H3
InChIKeySYBXOQGSKYATSY-UHFFFAOYSA-N
MW300.44 g/mol
LogP5.50
Rot. Bonds6

About 5-(2-cyclohexylethenyl)-3-methoxy-2-(3-methylbut-3-enyl)phenol

5-(2-cyclohexylethenyl)-3-methoxy-2-(3-methylbut-3-enyl)phenol (PubChem CID 154076842) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is 5-(2-cyclohexylethenyl)-3-methoxy-2-(3-methylbut-3-enyl)phenol.

Molecular Properties

Compound Name5-(2-cyclohexylethenyl)-3-methoxy-2-(3-methylbut-3-enyl)phenol
PubChem CID154076842
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name5-(2-cyclohexylethenyl)-3-methoxy-2-(3-methylbut-3-enyl)phenol
SMILESC=C(C)CCc1c(O)cc(C=CC2CCCCC2)cc1OC
InChIInChI=1S/C20H28O2/c1-15(2)9-12-18-19(21)13-17(14-20(18)22-3)11-10-16-7-5-4-6-8-16/h10-11,13-14,16,21H,1,4-9,12H2,2-3H3
InChIKeySYBXOQGSKYATSY-UHFFFAOYSA-N
XLogP5.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.44
LogP ≤ 55.50
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

2-[2-[3-hydroxy-5-methoxy-4-(3-methylbut-3-enyl)phenyl]ethenyl]-1H-pyridin-4-one
CID 154074901
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
1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene
CID 146002715
2-hydroxy-4-methoxy-6-[2-(4-methoxyphenyl)ethenyl]-3-(3-methylbut-3-enyl)benzoic acid
CID 154074948
methyl 4,6-dimethoxy-3-(3-methylbut-3-enyl)-2-(2-phenylethenyl)benzoate
CID 154074852
6-[2-(2,6-dimethoxyphenyl)ethenyl]-2-hydroxy-4-methoxy-3-(3-methylbut-3-enyl)benzoic acid
CID 154074952
5-[(E)-2-(4,6-dimethoxy-3-pyridinyl)ethenyl]-3-methoxy-2-(3-methylbut-2-enyl)phenol
CID 86342922
1-[2-hydroxy-4,6-bis(methoxymethoxy)-3-(3-methylbut-3-enyl)phenyl]-3-[4-methoxy-3-(methoxymethoxy)phenyl]prop-2-en-1-one
CID 168878103
2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242
3-methoxy-2-pentyl-5-propylphenol
CID 134929797
N-(cyclohexylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 1122315

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethenyl)-3-methoxy-2-(3-methylbut-3-enyl)phenol?
The IUPAC name of 5-(2-cyclohexylethenyl)-3-methoxy-2-(3-methylbut-3-enyl)phenol (CID 154076842) is 5-(2-cyclohexylethenyl)-3-methoxy-2-(3-methylbut-3-enyl)phenol.
What is the SMILES notation for 5-(2-cyclohexylethenyl)-3-methoxy-2-(3-methylbut-3-enyl)phenol?
The canonical SMILES for 5-(2-cyclohexylethenyl)-3-methoxy-2-(3-methylbut-3-enyl)phenol is C=C(C)CCc1c(O)cc(C=CC2CCCCC2)cc1OC.
What is the InChIKey of 5-(2-cyclohexylethenyl)-3-methoxy-2-(3-methylbut-3-enyl)phenol?
The InChIKey is SYBXOQGSKYATSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O2/c1-15(2)9-12-18-19(21)13-17(14-20(18)22-3)11-10-16-7-5-4-6-8-16/h10-11,13-14,16,21H,1,4-9,12H2,2-3H3.
What are the key properties of 5-(2-cyclohexylethenyl)-3-methoxy-2-(3-methylbut-3-enyl)phenol?
5-(2-cyclohexylethenyl)-3-methoxy-2-(3-methylbut-3-enyl)phenol has a molecular weight of 300.44 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethenyl)-3-methoxy-2-(3-methylbut-3-enyl)phenol is sourced from PubChem (CID 154076842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).