1-[2-[(2S,3S)-2,3-dimethylcyclopropylidene]-1-(4-methoxyphenyl)ethenyl]-4-methoxybenzene

C21H22O2 — CID 11301225

IUPAC1-[2-[(2S,3S)-2,3-dimethylcyclopropylidene]-1-(4-methoxyphenyl)ethenyl]-4-methoxybenzene
SMILESCOc1ccc(C(=C=C2[C@@H](C)[C@@H]2C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H22O2/c1-14-15(2)20(14)13-21(16-5-9-18(22-3)10-6-16)17-7-11-19(23-4)12-8-17/h5-12,14-15H,1-4H3/t14-,15-/m0/s1
InChIKeyHKYDEBRGIIJYGP-GJZGRUSLSA-N
MW306.41 g/mol
LogP4.95
Rot. Bonds4

About 1-[2-[(2S,3S)-2,3-dimethylcyclopropylidene]-1-(4-methoxyphenyl)ethenyl]-4-methoxybenzene

1-[2-[(2S,3S)-2,3-dimethylcyclopropylidene]-1-(4-methoxyphenyl)ethenyl]-4-methoxybenzene (PubChem CID 11301225) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[2-[(2S,3S)-2,3-dimethylcyclopropylidene]-1-(4-methoxyphenyl)ethenyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[2-[(2S,3S)-2,3-dimethylcyclopropylidene]-1-(4-methoxyphenyl)ethenyl]-4-methoxybenzene
PubChem CID11301225
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name1-[2-[(2S,3S)-2,3-dimethylcyclopropylidene]-1-(4-methoxyphenyl)ethenyl]-4-methoxybenzene
SMILESCOc1ccc(C(=C=C2[C@@H](C)[C@@H]2C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H22O2/c1-14-15(2)20(14)13-21(16-5-9-18(22-3)10-6-16)17-7-11-19(23-4)12-8-17/h5-12,14-15H,1-4H3/t14-,15-/m0/s1
InChIKeyHKYDEBRGIIJYGP-GJZGRUSLSA-N
XLogP4.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-[(2S,3S)-2,3-dimethylcyclopropylidene]-1-(4-methoxyphenyl)ethenyl]-4-methoxybenzene with MolForge

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Related Compounds

CID 12714057
CID 12714057
2,5-bis[1-(4-methoxyphenyl)ethenyl]-1H-pyrrole
CID 22971799
(4-methoxyphenyl)-tris(4-methoxybenzoyl)germylmethanone
CID 140911136
1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene
CID 10329885
CID 10486679
CID 10486679
(E)-2-(4-methoxyphenyl)but-2-enedinitrile
CID 101444835
2-(4-methoxyphenyl)but-2-enedinitrile
CID 54310324
dihydroxy-(4-methoxyphenyl)-oxido-λ4-sulfane
CID 91517981
4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine
CID 121329846
4-[2,2-bis(4-methoxyphenyl)ethenylidene]-2,2,3,3-tetramethyl-5-propylpyrrole
CID 134977819
2,2,2-triiodo-1-(4-methoxyphenyl)ethanone
CID 86080929
carbon monoxide;[methoxy-(4-methoxyphenyl)methylidene]chromium
CID 10882418

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,3S)-2,3-dimethylcyclopropylidene]-1-(4-methoxyphenyl)ethenyl]-4-methoxybenzene?
The IUPAC name of 1-[2-[(2S,3S)-2,3-dimethylcyclopropylidene]-1-(4-methoxyphenyl)ethenyl]-4-methoxybenzene (CID 11301225) is 1-[2-[(2S,3S)-2,3-dimethylcyclopropylidene]-1-(4-methoxyphenyl)ethenyl]-4-methoxybenzene.
What is the SMILES notation for 1-[2-[(2S,3S)-2,3-dimethylcyclopropylidene]-1-(4-methoxyphenyl)ethenyl]-4-methoxybenzene?
The canonical SMILES for 1-[2-[(2S,3S)-2,3-dimethylcyclopropylidene]-1-(4-methoxyphenyl)ethenyl]-4-methoxybenzene is COc1ccc(C(=C=C2[C@@H](C)[C@@H]2C)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[2-[(2S,3S)-2,3-dimethylcyclopropylidene]-1-(4-methoxyphenyl)ethenyl]-4-methoxybenzene?
The InChIKey is HKYDEBRGIIJYGP-GJZGRUSLSA-N. The full InChI is InChI=1S/C21H22O2/c1-14-15(2)20(14)13-21(16-5-9-18(22-3)10-6-16)17-7-11-19(23-4)12-8-17/h5-12,14-15H,1-4H3/t14-,15-/m0/s1.
What are the key properties of 1-[2-[(2S,3S)-2,3-dimethylcyclopropylidene]-1-(4-methoxyphenyl)ethenyl]-4-methoxybenzene?
1-[2-[(2S,3S)-2,3-dimethylcyclopropylidene]-1-(4-methoxyphenyl)ethenyl]-4-methoxybenzene has a molecular weight of 306.41 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,3S)-2,3-dimethylcyclopropylidene]-1-(4-methoxyphenyl)ethenyl]-4-methoxybenzene is sourced from PubChem (CID 11301225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).