6-methoxy-4-[(E)-2-(3-methoxyphenyl)ethenyl]cyclohexa-2,4-diene-1,1-diol

C16H18O4 — CID 154028292

IUPAC6-methoxy-4-[(E)-2-(3-methoxyphenyl)ethenyl]cyclohexa-2,4-diene-1,1-diol
SMILESCOc1cccc(/C=C/C2=CC(OC)C(O)(O)C=C2)c1
InChIInChI=1S/C16H18O4/c1-19-14-5-3-4-12(10-14)6-7-13-8-9-16(17,18)15(11-13)20-2/h3-11,15,17-18H,1-2H3/b7-6+
InChIKeyROWQJCJHUMLTSZ-VOTSOKGWSA-N
MW274.32 g/mol
LogP1.90
Rot. Bonds4

About 6-methoxy-4-[(E)-2-(3-methoxyphenyl)ethenyl]cyclohexa-2,4-diene-1,1-diol

6-methoxy-4-[(E)-2-(3-methoxyphenyl)ethenyl]cyclohexa-2,4-diene-1,1-diol (PubChem CID 154028292) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-methoxy-4-[(E)-2-(3-methoxyphenyl)ethenyl]cyclohexa-2,4-diene-1,1-diol.

Molecular Properties

Compound Name6-methoxy-4-[(E)-2-(3-methoxyphenyl)ethenyl]cyclohexa-2,4-diene-1,1-diol
PubChem CID154028292
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name6-methoxy-4-[(E)-2-(3-methoxyphenyl)ethenyl]cyclohexa-2,4-diene-1,1-diol
SMILESCOc1cccc(/C=C/C2=CC(OC)C(O)(O)C=C2)c1
InChIInChI=1S/C16H18O4/c1-19-14-5-3-4-12(10-14)6-7-13-8-9-16(17,18)15(11-13)20-2/h3-11,15,17-18H,1-2H3/b7-6+
InChIKeyROWQJCJHUMLTSZ-VOTSOKGWSA-N
XLogP1.90
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.90
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

3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 89046788
4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 97104200
1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858
1-[2-(6,6-dimethoxycyclohexa-2,4-dien-1-yl)ethenyl]-3-methoxybenzene
CID 141439544
3,5-dichloro-4-[(Z)-2-(3-methoxyphenyl)ethenyl]phenol
CID 101118974
(Z)-4-(3-methoxyphenyl)-2-oxobut-3-enoic acid
CID 93043949
5-[(E)-2-(3-methoxyphenyl)ethenyl]-5-methylfuran-2-one
CID 71770302
(3-methoxyphenyl)methylidene-dimethylazanium iodide
CID 13184830
3-(3-methoxyphenyl)-2-methylprop-2-enal
CID 54057122
(2E,4Z)-5-(3-methoxyphenyl)penta-2,4-dienoic acid
CID 86306504

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[(E)-2-(3-methoxyphenyl)ethenyl]cyclohexa-2,4-diene-1,1-diol?
The IUPAC name of 6-methoxy-4-[(E)-2-(3-methoxyphenyl)ethenyl]cyclohexa-2,4-diene-1,1-diol (CID 154028292) is 6-methoxy-4-[(E)-2-(3-methoxyphenyl)ethenyl]cyclohexa-2,4-diene-1,1-diol.
What is the SMILES notation for 6-methoxy-4-[(E)-2-(3-methoxyphenyl)ethenyl]cyclohexa-2,4-diene-1,1-diol?
The canonical SMILES for 6-methoxy-4-[(E)-2-(3-methoxyphenyl)ethenyl]cyclohexa-2,4-diene-1,1-diol is COc1cccc(/C=C/C2=CC(OC)C(O)(O)C=C2)c1.
What is the InChIKey of 6-methoxy-4-[(E)-2-(3-methoxyphenyl)ethenyl]cyclohexa-2,4-diene-1,1-diol?
The InChIKey is ROWQJCJHUMLTSZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H18O4/c1-19-14-5-3-4-12(10-14)6-7-13-8-9-16(17,18)15(11-13)20-2/h3-11,15,17-18H,1-2H3/b7-6+.
What are the key properties of 6-methoxy-4-[(E)-2-(3-methoxyphenyl)ethenyl]cyclohexa-2,4-diene-1,1-diol?
6-methoxy-4-[(E)-2-(3-methoxyphenyl)ethenyl]cyclohexa-2,4-diene-1,1-diol has a molecular weight of 274.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[(E)-2-(3-methoxyphenyl)ethenyl]cyclohexa-2,4-diene-1,1-diol is sourced from PubChem (CID 154028292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).