6-(6-hydroxy-5-methyl-5-phenylhexoxy)-2-methyl-2-phenylhexan-1-ol

C26H38O3 — CID 11749901

IUPAC6-(6-hydroxy-5-methyl-5-phenylhexoxy)-2-methyl-2-phenylhexan-1-ol
SMILESCC(CO)(CCCCOCCCCC(C)(CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H38O3/c1-25(21-27,23-13-5-3-6-14-23)17-9-11-19-29-20-12-10-18-26(2,22-28)24-15-7-4-8-16-24/h3-8,13-16,27-28H,9-12,17-22H2,1-2H3
InChIKeySPSXDZADAPREDO-UHFFFAOYSA-N
MW398.59 g/mol
LogP5.24
Rot. Bonds14

About 6-(6-hydroxy-5-methyl-5-phenylhexoxy)-2-methyl-2-phenylhexan-1-ol

6-(6-hydroxy-5-methyl-5-phenylhexoxy)-2-methyl-2-phenylhexan-1-ol (PubChem CID 11749901) has the molecular formula C26H38O3 and a molecular weight of 398.59 g/mol. Its IUPAC name is 6-(6-hydroxy-5-methyl-5-phenylhexoxy)-2-methyl-2-phenylhexan-1-ol.

Molecular Properties

Compound Name6-(6-hydroxy-5-methyl-5-phenylhexoxy)-2-methyl-2-phenylhexan-1-ol
PubChem CID11749901
Molecular FormulaC26H38O3
Molecular Weight398.59 g/mol
Exact Mass398.28
IUPAC Name6-(6-hydroxy-5-methyl-5-phenylhexoxy)-2-methyl-2-phenylhexan-1-ol
SMILESCC(CO)(CCCCOCCCCC(C)(CO)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H38O3/c1-25(21-27,23-13-5-3-6-14-23)17-9-11-19-29-20-12-10-18-26(2,22-28)24-15-7-4-8-16-24/h3-8,13-16,27-28H,9-12,17-22H2,1-2H3
InChIKeySPSXDZADAPREDO-UHFFFAOYSA-N
XLogP5.24
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

p-tert-Butylphenethyl alcohol
CID 79410
2,2-Dimethyl-3-phenylpropanol
CID 83367
beta-Phenylphenethyl alcohol
CID 74662
2-Benzyl-2-methyl-1,3-propanediol
CID 299476
3,3-Diphenylpropanol
CID 29908
1,3-Diphenyl-2-propanol
CID 138478
trans-(1R,3R)-3-[4-(2-methylnonan-2-yl)phenyl]cyclohexan-1-ol
CID 44452506
cis-(1R,3S)-3-[4-(2-methylheptan-2-yl)phenyl]cyclohexan-1-ol
CID 44452649
(1R*,3S*)-3-[4-(1,1-dimethylheptyl)phenyl]cyclohexanol
CID 44452650
(1R,3R,4R)-4-(3-hydroxypropyl)-3-[4-(2-methyloctan-2-yl)phenyl]cyclohexan-1-ol
CID 44452712
(1-Phenylcyclopentyl)methanol
CID 123544
1,3-Propanediol, 2-methyl-2-phenyl-
CID 90603

Frequently Asked Questions

What is the IUPAC name of 6-(6-hydroxy-5-methyl-5-phenylhexoxy)-2-methyl-2-phenylhexan-1-ol?
The IUPAC name of 6-(6-hydroxy-5-methyl-5-phenylhexoxy)-2-methyl-2-phenylhexan-1-ol (CID 11749901) is 6-(6-hydroxy-5-methyl-5-phenylhexoxy)-2-methyl-2-phenylhexan-1-ol.
What is the SMILES notation for 6-(6-hydroxy-5-methyl-5-phenylhexoxy)-2-methyl-2-phenylhexan-1-ol?
The canonical SMILES for 6-(6-hydroxy-5-methyl-5-phenylhexoxy)-2-methyl-2-phenylhexan-1-ol is CC(CO)(CCCCOCCCCC(C)(CO)c1ccccc1)c1ccccc1.
What is the InChIKey of 6-(6-hydroxy-5-methyl-5-phenylhexoxy)-2-methyl-2-phenylhexan-1-ol?
The InChIKey is SPSXDZADAPREDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O3/c1-25(21-27,23-13-5-3-6-14-23)17-9-11-19-29-20-12-10-18-26(2,22-28)24-15-7-4-8-16-24/h3-8,13-16,27-28H,9-12,17-22H2,1-2H3.
What are the key properties of 6-(6-hydroxy-5-methyl-5-phenylhexoxy)-2-methyl-2-phenylhexan-1-ol?
6-(6-hydroxy-5-methyl-5-phenylhexoxy)-2-methyl-2-phenylhexan-1-ol has a molecular weight of 398.59 g/mol, XLogP of 5.24, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-hydroxy-5-methyl-5-phenylhexoxy)-2-methyl-2-phenylhexan-1-ol is sourced from PubChem (CID 11749901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).