5-[cyclohexylidene-(4-methoxyphenyl)methyl]-1,2,3-trimethoxybenzene

C23H28O4 — CID 102045274

IUPAC5-[cyclohexylidene-(4-methoxyphenyl)methyl]-1,2,3-trimethoxybenzene
SMILESCOc1ccc(C(=C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C23H28O4/c1-24-19-12-10-17(11-13-19)22(16-8-6-5-7-9-16)18-14-20(25-2)23(27-4)21(15-18)26-3/h10-15H,5-9H2,1-4H3
InChIKeyXVBDGLZEEXLHLW-UHFFFAOYSA-N
MW368.47 g/mol
LogP5.49
Rot. Bonds6

About 5-[cyclohexylidene-(4-methoxyphenyl)methyl]-1,2,3-trimethoxybenzene

5-[cyclohexylidene-(4-methoxyphenyl)methyl]-1,2,3-trimethoxybenzene (PubChem CID 102045274) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is 5-[cyclohexylidene-(4-methoxyphenyl)methyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[cyclohexylidene-(4-methoxyphenyl)methyl]-1,2,3-trimethoxybenzene
PubChem CID102045274
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name5-[cyclohexylidene-(4-methoxyphenyl)methyl]-1,2,3-trimethoxybenzene
SMILESCOc1ccc(C(=C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C23H28O4/c1-24-19-12-10-17(11-13-19)22(16-8-6-5-7-9-16)18-14-20(25-2)23(27-4)21(15-18)26-3/h10-15H,5-9H2,1-4H3
InChIKeyXVBDGLZEEXLHLW-UHFFFAOYSA-N
XLogP5.49
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[cyclohexylidene-[4-methoxy-3-(methoxymethoxy)phenyl]methyl]-1,2,3-trimethoxybenzene
CID 102045276
2-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-6-methoxy-1-benzofuran-3-amine
CID 71555609
1-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 11218918
1-[bromo(cyclopentylidene)methyl]-4-methoxybenzene
CID 10563745
7-[cyclobutylidene-(3,4,5-trimethoxyphenyl)methyl]-1-methylindole
CID 71554723
2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 141327397
1-(1-cyclohexylideneprop-2-enyl)-4-methoxybenzene
CID 11096381
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
5-[2-fluoro-2-(4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175336601
4-[cyclohexylidene-[4-[2-(dimethylamino)ethoxy]phenyl]methyl]phenol
CID 86155740
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287953
3,3-bis(4-methoxyphenyl)-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 19421626

Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexylidene-(4-methoxyphenyl)methyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[cyclohexylidene-(4-methoxyphenyl)methyl]-1,2,3-trimethoxybenzene (CID 102045274) is 5-[cyclohexylidene-(4-methoxyphenyl)methyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[cyclohexylidene-(4-methoxyphenyl)methyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[cyclohexylidene-(4-methoxyphenyl)methyl]-1,2,3-trimethoxybenzene is COc1ccc(C(=C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 5-[cyclohexylidene-(4-methoxyphenyl)methyl]-1,2,3-trimethoxybenzene?
The InChIKey is XVBDGLZEEXLHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O4/c1-24-19-12-10-17(11-13-19)22(16-8-6-5-7-9-16)18-14-20(25-2)23(27-4)21(15-18)26-3/h10-15H,5-9H2,1-4H3.
What are the key properties of 5-[cyclohexylidene-(4-methoxyphenyl)methyl]-1,2,3-trimethoxybenzene?
5-[cyclohexylidene-(4-methoxyphenyl)methyl]-1,2,3-trimethoxybenzene has a molecular weight of 368.47 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexylidene-(4-methoxyphenyl)methyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 102045274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).