3-(2-methylpentoxy)-1-phenylpropan-1-ol

C15H24O2 — CID 103284714

IUPAC3-(2-methylpentoxy)-1-phenylpropan-1-ol
SMILESCCCC(C)COCCC(O)c1ccccc1
InChIInChI=1S/C15H24O2/c1-3-7-13(2)12-17-11-10-15(16)14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3
InChIKeyVMYZRNRFEQBYHP-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.56
Rot. Bonds8

About 3-(2-methylpentoxy)-1-phenylpropan-1-ol

3-(2-methylpentoxy)-1-phenylpropan-1-ol (PubChem CID 103284714) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-(2-methylpentoxy)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(2-methylpentoxy)-1-phenylpropan-1-ol
PubChem CID103284714
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name3-(2-methylpentoxy)-1-phenylpropan-1-ol
SMILESCCCC(C)COCCC(O)c1ccccc1
InChIInChI=1S/C15H24O2/c1-3-7-13(2)12-17-11-10-15(16)14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3
InChIKeyVMYZRNRFEQBYHP-UHFFFAOYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpentoxy)-1-phenylethanamine
CID 103283488
N-methyl-2-(2-methylpentoxy)-1-phenylethanamine
CID 103283317
(1S)-1-phenylpentan-1-ol
CID 6992754
1-phenyl-3-trimethylsilyloxypropan-1-ol
CID 100965163
3-[ethyl(propoxy)silyl]oxy-1-phenylpropan-1-ol
CID 154001294
2-(2-methylpentoxy)-1-phenylethanone
CID 103284390
2-(2-methylpentoxy)-1-naphthalen-1-ylethanol
CID 103284745
(1R)-1-phenyloctan-1-ol
CID 12794259
(4R)-1-phenylpentane-1,4-diol
CID 13204353
benzene;2-methoxy-1-phenylethanol
CID 174622919
3-(3-methylsilyloxypropoxy)-1-phenylpropan-1-ol
CID 154022716
(1S)-1-[4-(2-methylpentoxy)phenyl]propan-1-ol
CID 55189541

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentoxy)-1-phenylpropan-1-ol?
The IUPAC name of 3-(2-methylpentoxy)-1-phenylpropan-1-ol (CID 103284714) is 3-(2-methylpentoxy)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(2-methylpentoxy)-1-phenylpropan-1-ol?
The canonical SMILES for 3-(2-methylpentoxy)-1-phenylpropan-1-ol is CCCC(C)COCCC(O)c1ccccc1.
What is the InChIKey of 3-(2-methylpentoxy)-1-phenylpropan-1-ol?
The InChIKey is VMYZRNRFEQBYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-7-13(2)12-17-11-10-15(16)14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3.
What are the key properties of 3-(2-methylpentoxy)-1-phenylpropan-1-ol?
3-(2-methylpentoxy)-1-phenylpropan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentoxy)-1-phenylpropan-1-ol is sourced from PubChem (CID 103284714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).