3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]propan-1-ol

C26H34O — CID 23518553

IUPAC3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]propan-1-ol
SMILESCc1ccc(/C=C/c2cc3c(cc2CCCO)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C26H34O/c1-19-8-10-20(11-9-19)12-13-22-18-24-23(17-21(22)7-6-16-27)25(2,3)14-15-26(24,4)5/h8-13,17-18,27H,6-7,14-16H2,1-5H3/b13-12+
InChIKeyATLDXMLEAVCHRO-OUKQBFOZSA-N
MW362.56 g/mol
LogP6.44
Rot. Bonds5

About 3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]propan-1-ol

3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]propan-1-ol (PubChem CID 23518553) has the molecular formula C26H34O and a molecular weight of 362.56 g/mol. Its IUPAC name is 3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]propan-1-ol
PubChem CID23518553
Molecular FormulaC26H34O
Molecular Weight362.56 g/mol
Exact Mass362.26
IUPAC Name3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]propan-1-ol
SMILESCc1ccc(/C=C/c2cc3c(cc2CCCO)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C26H34O/c1-19-8-10-20(11-9-19)12-13-22-18-24-23(17-21(22)7-6-16-27)25(2,3)14-15-26(24,4)5/h8-13,17-18,27H,6-7,14-16H2,1-5H3/b13-12+
InChIKeyATLDXMLEAVCHRO-OUKQBFOZSA-N
XLogP6.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]propan-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 3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]propan-1-ol?
The IUPAC name of 3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]propan-1-ol (CID 23518553) is 3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]propan-1-ol?
The canonical SMILES for 3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]propan-1-ol is Cc1ccc(/C=C/c2cc3c(cc2CCCO)C(C)(C)CCC3(C)C)cc1.
What is the InChIKey of 3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]propan-1-ol?
The InChIKey is ATLDXMLEAVCHRO-OUKQBFOZSA-N. The full InChI is InChI=1S/C26H34O/c1-19-8-10-20(11-9-19)12-13-22-18-24-23(17-21(22)7-6-16-27)25(2,3)14-15-26(24,4)5/h8-13,17-18,27H,6-7,14-16H2,1-5H3/b13-12+.
What are the key properties of 3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]propan-1-ol?
3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]propan-1-ol has a molecular weight of 362.56 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 23518553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).