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

C24H30O7 — CID 22491270

IUPAC[2-(3-hydroxy-4-methoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(C2CCC(OC)CC2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C24H30O7/c1-27-16-7-8-17(14-6-9-20(28-2)19(25)10-14)18(13-16)23(26)15-11-21(29-3)24(31-5)22(12-15)30-4/h6,9-12,16-18,25H,7-8,13H2,1-5H3
InChIKeyOPYSWXHIRSUNDV-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.21
Rot. Bonds8

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

[2-(3-hydroxy-4-methoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 22491270) has the molecular formula C24H30O7 and a molecular weight of 430.50 g/mol. Its IUPAC name is [2-(3-hydroxy-4-methoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(3-hydroxy-4-methoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID22491270
Molecular FormulaC24H30O7
Molecular Weight430.50 g/mol
Exact Mass430.20
IUPAC Name[2-(3-hydroxy-4-methoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(C2CCC(OC)CC2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C24H30O7/c1-27-16-7-8-17(14-6-9-20(28-2)19(25)10-14)18(13-16)23(26)15-11-21(29-3)24(31-5)22(12-15)30-4/h6,9-12,16-18,25H,7-8,13H2,1-5H3
InChIKeyOPYSWXHIRSUNDV-UHFFFAOYSA-N
XLogP4.21
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxy-4-methoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(3-hydroxy-4-methoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone (CID 22491270) is [2-(3-hydroxy-4-methoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(3-hydroxy-4-methoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(3-hydroxy-4-methoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc(C2CCC(OC)CC2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of [2-(3-hydroxy-4-methoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is OPYSWXHIRSUNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O7/c1-27-16-7-8-17(14-6-9-20(28-2)19(25)10-14)18(13-16)23(26)15-11-21(29-3)24(31-5)22(12-15)30-4/h6,9-12,16-18,25H,7-8,13H2,1-5H3.
What are the key properties of [2-(3-hydroxy-4-methoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(3-hydroxy-4-methoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 430.50 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxy-4-methoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 22491270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).