2,2-dimethyl-8-phenyloctan-4-ol

C16H26O — CID 164840740

IUPAC2,2-dimethyl-8-phenyloctan-4-ol
SMILESCC(C)(C)CC(O)CCCCc1ccccc1
InChIInChI=1S/C16H26O/c1-16(2,3)13-15(17)12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,15,17H,7-8,11-13H2,1-3H3
InChIKeyZJJDWHQZTCWURO-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.20
Rot. Bonds6

About 2,2-dimethyl-8-phenyloctan-4-ol

2,2-dimethyl-8-phenyloctan-4-ol (PubChem CID 164840740) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2,2-dimethyl-8-phenyloctan-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-8-phenyloctan-4-ol
PubChem CID164840740
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2,2-dimethyl-8-phenyloctan-4-ol
SMILESCC(C)(C)CC(O)CCCCc1ccccc1
InChIInChI=1S/C16H26O/c1-16(2,3)13-15(17)12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,15,17H,7-8,11-13H2,1-3H3
InChIKeyZJJDWHQZTCWURO-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(2R)-5-phenylpentane-1,2-diol
CID 102483629
8,8-dimethyl-1-phenylnon-6-yn-4-ol
CID 114190734
(3R)-9-hydroxy-3-methyl-3,14-diphenyltetradecanoic acid
CID 130256585
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CID 159113758
1-(dimethylamino)-5-phenylpentan-2-ol
CID 79087865
6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-1-phenyldodecan-4-ol
CID 162347931
27,27-dimethyloctacosylbenzene
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1-phenylheptan-3-ol
CID 10420110

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-8-phenyloctan-4-ol?
The IUPAC name of 2,2-dimethyl-8-phenyloctan-4-ol (CID 164840740) is 2,2-dimethyl-8-phenyloctan-4-ol.
What is the SMILES notation for 2,2-dimethyl-8-phenyloctan-4-ol?
The canonical SMILES for 2,2-dimethyl-8-phenyloctan-4-ol is CC(C)(C)CC(O)CCCCc1ccccc1.
What is the InChIKey of 2,2-dimethyl-8-phenyloctan-4-ol?
The InChIKey is ZJJDWHQZTCWURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-16(2,3)13-15(17)12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,15,17H,7-8,11-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-8-phenyloctan-4-ol?
2,2-dimethyl-8-phenyloctan-4-ol has a molecular weight of 234.38 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-8-phenyloctan-4-ol is sourced from PubChem (CID 164840740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).