1,6-dimethoxy-4-(2-phenylethyl)cyclohexa-3,5-diene-1,2-diol

C16H20O4 — CID 154410303

IUPAC1,6-dimethoxy-4-(2-phenylethyl)cyclohexa-3,5-diene-1,2-diol
SMILESCOC1=CC(CCc2ccccc2)=CC(O)C1(O)OC
InChIInChI=1S/C16H20O4/c1-19-15-11-13(10-14(17)16(15,18)20-2)9-8-12-6-4-3-5-7-12/h3-7,10-11,14,17-18H,8-9H2,1-2H3
InChIKeyQVOHZMWUZIVIES-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.79
Rot. Bonds5

About 1,6-dimethoxy-4-(2-phenylethyl)cyclohexa-3,5-diene-1,2-diol

1,6-dimethoxy-4-(2-phenylethyl)cyclohexa-3,5-diene-1,2-diol (PubChem CID 154410303) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1,6-dimethoxy-4-(2-phenylethyl)cyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name1,6-dimethoxy-4-(2-phenylethyl)cyclohexa-3,5-diene-1,2-diol
PubChem CID154410303
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name1,6-dimethoxy-4-(2-phenylethyl)cyclohexa-3,5-diene-1,2-diol
SMILESCOC1=CC(CCc2ccccc2)=CC(O)C1(O)OC
InChIInChI=1S/C16H20O4/c1-19-15-11-13(10-14(17)16(15,18)20-2)9-8-12-6-4-3-5-7-12/h3-7,10-11,14,17-18H,8-9H2,1-2H3
InChIKeyQVOHZMWUZIVIES-UHFFFAOYSA-N
XLogP1.79
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trimethoxy-5-(2-phenylethyl)cyclohexa-2,4-dien-1-ol
CID 174712862
benzene;2-phenylethylbenzene
CID 18982764
ethane;methane;2-phenylethylbenzene
CID 158652330
2-(3,4,5-trimethoxy-4-methylcyclohexa-1,5-dien-1-yl)ethyl (3R)-1-(2-oxo-3-phenylpropanoyl)pyrrolidine-3-carboxylate
CID 176564365
hafnium;2-phenylethylbenzene
CID 173109801
1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
3-methoxy-2-(2-phenylethyl)phenol
CID 44887037
2-methoxyethylbenzene
CID 19089
3-methoxy-5-phenyl-1-(2-phenylethyl)cyclohexa-1,3-diene
CID 175695788
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
CID 22950407
CID 22950407
ethyl 2-(2-phenylethyl)cycloprop-2-ene-1-carboxylate
CID 155273719

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethoxy-4-(2-phenylethyl)cyclohexa-3,5-diene-1,2-diol?
The IUPAC name of 1,6-dimethoxy-4-(2-phenylethyl)cyclohexa-3,5-diene-1,2-diol (CID 154410303) is 1,6-dimethoxy-4-(2-phenylethyl)cyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for 1,6-dimethoxy-4-(2-phenylethyl)cyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for 1,6-dimethoxy-4-(2-phenylethyl)cyclohexa-3,5-diene-1,2-diol is COC1=CC(CCc2ccccc2)=CC(O)C1(O)OC.
What is the InChIKey of 1,6-dimethoxy-4-(2-phenylethyl)cyclohexa-3,5-diene-1,2-diol?
The InChIKey is QVOHZMWUZIVIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-19-15-11-13(10-14(17)16(15,18)20-2)9-8-12-6-4-3-5-7-12/h3-7,10-11,14,17-18H,8-9H2,1-2H3.
What are the key properties of 1,6-dimethoxy-4-(2-phenylethyl)cyclohexa-3,5-diene-1,2-diol?
1,6-dimethoxy-4-(2-phenylethyl)cyclohexa-3,5-diene-1,2-diol has a molecular weight of 276.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethoxy-4-(2-phenylethyl)cyclohexa-3,5-diene-1,2-diol is sourced from PubChem (CID 154410303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).