4-methyl-8-phenyloctan-3-ol

C15H24O — CID 114334468

IUPAC4-methyl-8-phenyloctan-3-ol
SMILESCCC(O)C(C)CCCCc1ccccc1
InChIInChI=1S/C15H24O/c1-3-15(16)13(2)9-7-8-12-14-10-5-4-6-11-14/h4-6,10-11,13,15-16H,3,7-9,12H2,1-2H3
InChIKeyUXZOBBNNNBZTBU-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.81
Rot. Bonds7

About 4-methyl-8-phenyloctan-3-ol

4-methyl-8-phenyloctan-3-ol (PubChem CID 114334468) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-methyl-8-phenyloctan-3-ol.

Molecular Properties

Compound Name4-methyl-8-phenyloctan-3-ol
PubChem CID114334468
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4-methyl-8-phenyloctan-3-ol
SMILESCCC(O)C(C)CCCCc1ccccc1
InChIInChI=1S/C15H24O/c1-3-15(16)13(2)9-7-8-12-14-10-5-4-6-11-14/h4-6,10-11,13,15-16H,3,7-9,12H2,1-2H3
InChIKeyUXZOBBNNNBZTBU-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.81
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

2-methyl-7-phenylheptan-3-ol
CID 10976646
5-methylheptylbenzene
CID 564254
3-methyl-6-phenylhexan-2-ol
CID 54498182
3-ethyl-6-methyl-1-phenyldecan-5-ol
CID 173252145
4-methyl-7-phenoxyheptan-3-ol
CID 63562397
(2S,3R)-3-hydroxy-2-methyl-7-phenylheptanoic acid
CID 57188911
6-phenylhexan-2-ylbenzene
CID 19704587
15-phenylpentadecane-1,1-diol
CID 139927269
3-methyl-1-phenylhexan-2-ol
CID 63018482
2-methyl-7-phenylheptane-3,4-diol
CID 103456597
2-ethenyl-3-methyl-8-phenyloctan-1-ol
CID 129208027
2-methyl-1-phenyltetradecan-3-ol;hydrate
CID 173347610

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-phenyloctan-3-ol?
The IUPAC name of 4-methyl-8-phenyloctan-3-ol (CID 114334468) is 4-methyl-8-phenyloctan-3-ol.
What is the SMILES notation for 4-methyl-8-phenyloctan-3-ol?
The canonical SMILES for 4-methyl-8-phenyloctan-3-ol is CCC(O)C(C)CCCCc1ccccc1.
What is the InChIKey of 4-methyl-8-phenyloctan-3-ol?
The InChIKey is UXZOBBNNNBZTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-3-15(16)13(2)9-7-8-12-14-10-5-4-6-11-14/h4-6,10-11,13,15-16H,3,7-9,12H2,1-2H3.
What are the key properties of 4-methyl-8-phenyloctan-3-ol?
4-methyl-8-phenyloctan-3-ol has a molecular weight of 220.36 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-phenyloctan-3-ol is sourced from PubChem (CID 114334468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).