(2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol

C27H34O — CID 122186592

IUPAC(2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)CC/C=C(\C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H34O/c1-22(9-7-11-23(2)19-20-28)10-8-12-24(3)21-25-15-17-27(18-16-25)26-13-5-4-6-14-26/h4-6,9,12-19,28H,7-8,10-11,20-21H2,1-3H3/b22-9+,23-19+,24-12+
InChIKeyQSBGLCPILUAUCH-WXCJWQIYSA-N
MW374.57 g/mol
LogP7.29
Rot. Bonds10

About (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol

(2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol (PubChem CID 122186592) has the molecular formula C27H34O and a molecular weight of 374.57 g/mol. Its IUPAC name is (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol.

Molecular Properties

Compound Name(2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol
PubChem CID122186592
Molecular FormulaC27H34O
Molecular Weight374.57 g/mol
Exact Mass374.26
IUPAC Name(2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol
SMILESC/C(=C\CO)CC/C=C(\C)CC/C=C(\C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H34O/c1-22(9-7-11-23(2)19-20-28)10-8-12-24(3)21-25-15-17-27(18-16-25)26-13-5-4-6-14-26/h4-6,9,12-19,28H,7-8,10-11,20-21H2,1-3H3/b22-9+,23-19+,24-12+
InChIKeyQSBGLCPILUAUCH-WXCJWQIYSA-N
XLogP7.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol 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 (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol?
The IUPAC name of (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol (CID 122186592) is (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol.
What is the SMILES notation for (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol?
The canonical SMILES for (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol is C/C(=C\CO)CC/C=C(\C)CC/C=C(\C)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol?
The InChIKey is QSBGLCPILUAUCH-WXCJWQIYSA-N. The full InChI is InChI=1S/C27H34O/c1-22(9-7-11-23(2)19-20-28)10-8-12-24(3)21-25-15-17-27(18-16-25)26-13-5-4-6-14-26/h4-6,9,12-19,28H,7-8,10-11,20-21H2,1-3H3/b22-9+,23-19+,24-12+.
What are the key properties of (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol?
(2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol has a molecular weight of 374.57 g/mol, XLogP of 7.29, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-3,7,11-trimethyl-12-(4-phenylphenyl)dodeca-2,6,10-trien-1-ol is sourced from PubChem (CID 122186592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).