2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol

C21H26O — CID 57130205

IUPAC2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol
SMILESCC(C)(O)CCCCc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C21H26O/c1-21(2,22)17-7-6-10-19-12-15-20(16-13-19)14-11-18-8-4-3-5-9-18/h3-5,8-9,11-16,22H,6-7,10,17H2,1-2H3
InChIKeyRYKIBSQVCUCJDF-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.34
Rot. Bonds7

About 2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol

2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol (PubChem CID 57130205) has the molecular formula C21H26O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol.

Molecular Properties

Compound Name2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol
PubChem CID57130205
Molecular FormulaC21H26O
Molecular Weight294.44 g/mol
Exact Mass294.20
IUPAC Name2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol
SMILESCC(C)(O)CCCCc1ccc(C=Cc2ccccc2)cc1
InChIInChI=1S/C21H26O/c1-21(2,22)17-7-6-10-19-12-15-20(16-13-19)14-11-18-8-4-3-5-9-18/h3-5,8-9,11-16,22H,6-7,10,17H2,1-2H3
InChIKeyRYKIBSQVCUCJDF-UHFFFAOYSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-phenylhexan-2-ol
CID 12716611
7-[3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol
CID 23439974
1-butyl-4-[(E)-2-phenylethenyl]benzene
CID 100931442
6-(4-ethylphenyl)-2-methylhexan-2-ol
CID 98014254
4-[2-[3-(6-hydroxy-6-methylheptyl)phenyl]ethenyl]benzene-1,2-diol
CID 57119515
3-[(E)-2-[3-(7-hydroxy-7-methyloctyl)phenyl]ethenyl]phenol
CID 23439737
7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol
CID 57167140
2-methyl-6-(4-methylsulfanylphenyl)hexan-2-ol
CID 98015312
N,N-dimethyl-3-[4-[(E)-2-phenylethenyl]phenyl]propan-1-amine
CID 170865314
(E)-2-methyl-6-phenylhex-5-en-2-ol
CID 82468818
6-hydroxy-6-methyl-N-(7-phenylheptyl)heptanamide
CID 154978899
2-methyl-6-(4-methylsulfonylphenyl)hexan-2-ol
CID 98018337

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol?
The IUPAC name of 2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol (CID 57130205) is 2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol.
What is the SMILES notation for 2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol?
The canonical SMILES for 2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol is CC(C)(O)CCCCc1ccc(C=Cc2ccccc2)cc1.
What is the InChIKey of 2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol?
The InChIKey is RYKIBSQVCUCJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O/c1-21(2,22)17-7-6-10-19-12-15-20(16-13-19)14-11-18-8-4-3-5-9-18/h3-5,8-9,11-16,22H,6-7,10,17H2,1-2H3.
What are the key properties of 2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol?
2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol has a molecular weight of 294.44 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol is sourced from PubChem (CID 57130205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).