[2-(4-ethoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone

C25H32O6 — CID 22491332

IUPAC[2-(4-ethoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCCOc1ccc(C2CCC(OC)CC2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C25H32O6/c1-6-31-18-9-7-16(8-10-18)20-12-11-19(27-2)15-21(20)24(26)17-13-22(28-3)25(30-5)23(14-17)29-4/h7-10,13-14,19-21H,6,11-12,15H2,1-5H3
InChIKeyYZLVRCRRYFJLGW-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.89
Rot. Bonds9

About [2-(4-ethoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone

[2-(4-ethoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 22491332) has the molecular formula C25H32O6 and a molecular weight of 428.53 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID22491332
Molecular FormulaC25H32O6
Molecular Weight428.53 g/mol
Exact Mass428.22
IUPAC Name[2-(4-ethoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCCOc1ccc(C2CCC(OC)CC2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C25H32O6/c1-6-31-18-9-7-16(8-10-18)20-12-11-19(27-2)15-21(20)24(26)17-13-22(28-3)25(30-5)23(14-17)29-4/h7-10,13-14,19-21H,6,11-12,15H2,1-5H3
InChIKeyYZLVRCRRYFJLGW-UHFFFAOYSA-N
XLogP4.89
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(4-ethoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone with MolForge

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Related Compounds

[2-(3-hydroxy-4-methoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone
CID 22491270
[2-(4-ethoxyphenyl)cyclopropyl]-phenylmethanone
CID 14939960
(2,5-dimethoxyphenyl)-[2-(3-hydroxy-4-methylphenyl)-5-methoxycyclohexyl]methanone
CID 22491293
trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid
CID 39058010
(2,5-dimethoxyphenyl)-[2-(2-ethyl-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxycyclohexyl]methanone
CID 22491182
[2-(2-ethyl-1-methylindol-5-yl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanone
CID 22491198
4-ethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261598
2-(4-ethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)aziridine
CID 175257882
(E)-3-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 5379234
[(3R,4R,5S)-5-(3,4-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 10025797
[5-(3,4-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 72743737
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(4-ethoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone (CID 22491332) is [2-(4-ethoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(4-ethoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(4-ethoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone is CCOc1ccc(C2CCC(OC)CC2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is YZLVRCRRYFJLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O6/c1-6-31-18-9-7-16(8-10-18)20-12-11-19(27-2)15-21(20)24(26)17-13-22(28-3)25(30-5)23(14-17)29-4/h7-10,13-14,19-21H,6,11-12,15H2,1-5H3.
What are the key properties of [2-(4-ethoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(4-ethoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 428.53 g/mol, XLogP of 4.89, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 22491332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).