2-(3,3-dimethylbutoxy)-1-phenylpropan-1-ol

C15H24O2 — CID 66225387

IUPAC2-(3,3-dimethylbutoxy)-1-phenylpropan-1-ol
SMILESCC(OCCC(C)(C)C)C(O)c1ccccc1
InChIInChI=1S/C15H24O2/c1-12(17-11-10-15(2,3)4)14(16)13-8-6-5-7-9-13/h5-9,12,14,16H,10-11H2,1-4H3
InChIKeyPYSBWUDLZJDMEA-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.56
Rot. Bonds5

About 2-(3,3-dimethylbutoxy)-1-phenylpropan-1-ol

2-(3,3-dimethylbutoxy)-1-phenylpropan-1-ol (PubChem CID 66225387) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)-1-phenylpropan-1-ol
PubChem CID66225387
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name2-(3,3-dimethylbutoxy)-1-phenylpropan-1-ol
SMILESCC(OCCC(C)(C)C)C(O)c1ccccc1
InChIInChI=1S/C15H24O2/c1-12(17-11-10-15(2,3)4)14(16)13-8-6-5-7-9-13/h5-9,12,14,16H,10-11H2,1-4H3
InChIKeyPYSBWUDLZJDMEA-UHFFFAOYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol
CID 66224938
2-[2-(2-methylpropoxy)ethoxy]-1-phenylpropan-1-ol
CID 106448681
ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate
CID 106676840
2-(3,3-dimethylbutoxy)pentan-3-ol
CID 66225389
2-(cyclohexylmethoxy)-1-phenylpropan-1-ol
CID 62383236
5-methoxy-2,5-dimethyl-1-phenylhexan-1-ol
CID 103036478
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708
2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol
CID 62383931
(1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol
CID 63365378
3,3-dimethyl-N-[2-(1-phenylethoxy)ethyl]butan-1-amine
CID 62567303
1-(4-ethylphenyl)-2-(4,4,4-trifluorobutoxy)propan-1-ol
CID 82789164
1,2-diphenylethane-1,2-diol
CID 159073808

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)-1-phenylpropan-1-ol?
The IUPAC name of 2-(3,3-dimethylbutoxy)-1-phenylpropan-1-ol (CID 66225387) is 2-(3,3-dimethylbutoxy)-1-phenylpropan-1-ol.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)-1-phenylpropan-1-ol?
The canonical SMILES for 2-(3,3-dimethylbutoxy)-1-phenylpropan-1-ol is CC(OCCC(C)(C)C)C(O)c1ccccc1.
What is the InChIKey of 2-(3,3-dimethylbutoxy)-1-phenylpropan-1-ol?
The InChIKey is PYSBWUDLZJDMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(17-11-10-15(2,3)4)14(16)13-8-6-5-7-9-13/h5-9,12,14,16H,10-11H2,1-4H3.
What are the key properties of 2-(3,3-dimethylbutoxy)-1-phenylpropan-1-ol?
2-(3,3-dimethylbutoxy)-1-phenylpropan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxy)-1-phenylpropan-1-ol is sourced from PubChem (CID 66225387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).