2,4-dimethoxy-6-[3-methyl-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]phenol

C23H34O3 — CID 74051197

IUPAC2,4-dimethoxy-6-[3-methyl-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]phenol
SMILESCOc1cc(CC=C(C)CCC2(C)C(C)=CCCC2C)c(O)c(OC)c1
InChIInChI=1S/C23H34O3/c1-16(12-13-23(4)17(2)8-7-9-18(23)3)10-11-19-14-20(25-5)15-21(26-6)22(19)24/h8,10,14-15,18,24H,7,9,11-13H2,1-6H3
InChIKeyWFPNAXCDJWECFJ-UHFFFAOYSA-N
MW358.52 g/mol
LogP6.06
Rot. Bonds7

About 2,4-dimethoxy-6-[3-methyl-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]phenol

2,4-dimethoxy-6-[3-methyl-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]phenol (PubChem CID 74051197) has the molecular formula C23H34O3 and a molecular weight of 358.52 g/mol. Its IUPAC name is 2,4-dimethoxy-6-[3-methyl-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]phenol.

Molecular Properties

Compound Name2,4-dimethoxy-6-[3-methyl-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]phenol
PubChem CID74051197
Molecular FormulaC23H34O3
Molecular Weight358.52 g/mol
Exact Mass358.25
IUPAC Name2,4-dimethoxy-6-[3-methyl-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]phenol
SMILESCOc1cc(CC=C(C)CCC2(C)C(C)=CCCC2C)c(O)c(OC)c1
InChIInChI=1S/C23H34O3/c1-16(12-13-23(4)17(2)8-7-9-18(23)3)10-11-19-14-20(25-5)15-21(26-6)22(19)24/h8,10,14-15,18,24H,7,9,11-13H2,1-6H3
InChIKeyWFPNAXCDJWECFJ-UHFFFAOYSA-N
XLogP6.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.52
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-[3-methyl-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]phenol?
The IUPAC name of 2,4-dimethoxy-6-[3-methyl-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]phenol (CID 74051197) is 2,4-dimethoxy-6-[3-methyl-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]phenol.
What is the SMILES notation for 2,4-dimethoxy-6-[3-methyl-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]phenol?
The canonical SMILES for 2,4-dimethoxy-6-[3-methyl-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]phenol is COc1cc(CC=C(C)CCC2(C)C(C)=CCCC2C)c(O)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-6-[3-methyl-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]phenol?
The InChIKey is WFPNAXCDJWECFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O3/c1-16(12-13-23(4)17(2)8-7-9-18(23)3)10-11-19-14-20(25-5)15-21(26-6)22(19)24/h8,10,14-15,18,24H,7,9,11-13H2,1-6H3.
What are the key properties of 2,4-dimethoxy-6-[3-methyl-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]phenol?
2,4-dimethoxy-6-[3-methyl-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]phenol has a molecular weight of 358.52 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-[3-methyl-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]phenol is sourced from PubChem (CID 74051197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).