3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenyl]cyclobutan-1-ol

C22H26O5 — CID 89099987

IUPAC3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenyl]cyclobutan-1-ol
SMILESCOc1ccc(/C=C/c2cc(OC)c(C3CC(O)C3)c(OC)c2)cc1OC
InChIInChI=1S/C22H26O5/c1-24-18-8-7-14(9-19(18)25-2)5-6-15-10-20(26-3)22(21(11-15)27-4)16-12-17(23)13-16/h5-11,16-17,23H,12-13H2,1-4H3/b6-5+
InChIKeyJZNXICBBDQQUEY-AATRIKPKSA-N
MW370.45 g/mol
LogP4.13
Rot. Bonds7

About 3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenyl]cyclobutan-1-ol

3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenyl]cyclobutan-1-ol (PubChem CID 89099987) has the molecular formula C22H26O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenyl]cyclobutan-1-ol
PubChem CID89099987
Molecular FormulaC22H26O5
Molecular Weight370.45 g/mol
Exact Mass370.18
IUPAC Name3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenyl]cyclobutan-1-ol
SMILESCOc1ccc(/C=C/c2cc(OC)c(C3CC(O)C3)c(OC)c2)cc1OC
InChIInChI=1S/C22H26O5/c1-24-18-8-7-14(9-19(18)25-2)5-6-15-10-20(26-3)22(21(11-15)27-4)16-12-17(23)13-16/h5-11,16-17,23H,12-13H2,1-4H3/b6-5+
InChIKeyJZNXICBBDQQUEY-AATRIKPKSA-N
XLogP4.13
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene
CID 15353455
5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
CID 5386528
5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-fluorobenzene-1,3-diol
CID 72723769
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
N-[(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-ylidene]hydroxylamine
CID 46231378
2-cyclopentyl-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene
CID 170351002
1-cyclopropyl-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol
CID 174881612
4-[(E)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]sulfanylethenyl]-1,2-dimethoxybenzene
CID 101201572
(1E,4E)-1,5-bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one;ethane
CID 143217008
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823
1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene
CID 12892889
N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide
CID 141461725

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenyl]cyclobutan-1-ol?
The IUPAC name of 3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenyl]cyclobutan-1-ol (CID 89099987) is 3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenyl]cyclobutan-1-ol?
The canonical SMILES for 3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenyl]cyclobutan-1-ol is COc1ccc(/C=C/c2cc(OC)c(C3CC(O)C3)c(OC)c2)cc1OC.
What is the InChIKey of 3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenyl]cyclobutan-1-ol?
The InChIKey is JZNXICBBDQQUEY-AATRIKPKSA-N. The full InChI is InChI=1S/C22H26O5/c1-24-18-8-7-14(9-19(18)25-2)5-6-15-10-20(26-3)22(21(11-15)27-4)16-12-17(23)13-16/h5-11,16-17,23H,12-13H2,1-4H3/b6-5+.
What are the key properties of 3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenyl]cyclobutan-1-ol?
3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenyl]cyclobutan-1-ol has a molecular weight of 370.45 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenyl]cyclobutan-1-ol is sourced from PubChem (CID 89099987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).