2-methoxy-6-methyl-3-phenylmethoxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-ene-1,4-diol

C30H44O4 — CID 123956700

IUPAC2-methoxy-6-methyl-3-phenylmethoxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-ene-1,4-diol
SMILESCOC1=C(OCc2ccccc2)C(O)C(CC=C(C)CCC=C(C)CCC=C(C)C)C(C)C1O
InChIInChI=1S/C30H44O4/c1-21(2)12-10-13-22(3)14-11-15-23(4)18-19-26-24(5)27(31)29(33-6)30(28(26)32)34-20-25-16-8-7-9-17-25/h7-9,12,14,16-18,24,26-28,31-32H,10-11,13,15,19-20H2,1-6H3
InChIKeyOUXGPLQUZIDVFA-UHFFFAOYSA-N
MW468.68 g/mol
LogP6.86
Rot. Bonds12

About 2-methoxy-6-methyl-3-phenylmethoxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-ene-1,4-diol

2-methoxy-6-methyl-3-phenylmethoxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-ene-1,4-diol (PubChem CID 123956700) has the molecular formula C30H44O4 and a molecular weight of 468.68 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-phenylmethoxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-ene-1,4-diol.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-phenylmethoxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-ene-1,4-diol
PubChem CID123956700
Molecular FormulaC30H44O4
Molecular Weight468.68 g/mol
Exact Mass468.32
IUPAC Name2-methoxy-6-methyl-3-phenylmethoxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-ene-1,4-diol
SMILESCOC1=C(OCc2ccccc2)C(O)C(CC=C(C)CCC=C(C)CCC=C(C)C)C(C)C1O
InChIInChI=1S/C30H44O4/c1-21(2)12-10-13-22(3)14-11-15-23(4)18-19-26-24(5)27(31)29(33-6)30(28(26)32)34-20-25-16-8-7-9-17-25/h7-9,12,14,16-18,24,26-28,31-32H,10-11,13,15,19-20H2,1-6H3
InChIKeyOUXGPLQUZIDVFA-UHFFFAOYSA-N
XLogP6.86
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.68
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-6-methyl-3-phenylmethoxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-ene-1,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-phenylmethoxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-ene-1,4-diol?
The IUPAC name of 2-methoxy-6-methyl-3-phenylmethoxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-ene-1,4-diol (CID 123956700) is 2-methoxy-6-methyl-3-phenylmethoxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-ene-1,4-diol.
What is the SMILES notation for 2-methoxy-6-methyl-3-phenylmethoxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-ene-1,4-diol?
The canonical SMILES for 2-methoxy-6-methyl-3-phenylmethoxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-ene-1,4-diol is COC1=C(OCc2ccccc2)C(O)C(CC=C(C)CCC=C(C)CCC=C(C)C)C(C)C1O.
What is the InChIKey of 2-methoxy-6-methyl-3-phenylmethoxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-ene-1,4-diol?
The InChIKey is OUXGPLQUZIDVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44O4/c1-21(2)12-10-13-22(3)14-11-15-23(4)18-19-26-24(5)27(31)29(33-6)30(28(26)32)34-20-25-16-8-7-9-17-25/h7-9,12,14,16-18,24,26-28,31-32H,10-11,13,15,19-20H2,1-6H3.
What are the key properties of 2-methoxy-6-methyl-3-phenylmethoxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-ene-1,4-diol?
2-methoxy-6-methyl-3-phenylmethoxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-ene-1,4-diol has a molecular weight of 468.68 g/mol, XLogP of 6.86, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-phenylmethoxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)cyclohex-2-ene-1,4-diol is sourced from PubChem (CID 123956700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).