2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol

C15H24O3 — CID 165127154

IUPAC2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol
SMILESCC(C)(CO)COCCCOCc1ccccc1
InChIInChI=1S/C15H24O3/c1-15(2,12-16)13-18-10-6-9-17-11-14-7-4-3-5-8-14/h3-5,7-8,16H,6,9-13H2,1-2H3
InChIKeyNGAYJSQUYXVXDU-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.63
Rot. Bonds9

About 2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol

2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol (PubChem CID 165127154) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol
PubChem CID165127154
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol
SMILESCC(C)(CO)COCCCOCc1ccccc1
InChIInChI=1S/C15H24O3/c1-15(2,12-16)13-18-10-6-9-17-11-14-7-4-3-5-8-14/h3-5,7-8,16H,6,9-13H2,1-2H3
InChIKeyNGAYJSQUYXVXDU-UHFFFAOYSA-N
XLogP2.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)-2-(4-phenylmethoxybutoxymethyl)propane-1,3-diol
CID 131987442
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
2-methyl-6-phenylmethoxyhexan-2-ol
CID 130681536
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846
(2R)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 11344600
2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine
CID 130536986
3-[3-(3-deuteriopropoxy)-2,2-bis(3-deuteriopropoxymethyl)propoxy]propoxymethylbenzene
CID 118402269
2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene
CID 14221122
3-[3-(3-bromophenyl)propoxy]-2,2-dimethylpropan-1-ol
CID 171079478
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol (CID 165127154) is 2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol is CC(C)(CO)COCCCOCc1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol?
The InChIKey is NGAYJSQUYXVXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-15(2,12-16)13-18-10-6-9-17-11-14-7-4-3-5-8-14/h3-5,7-8,16H,6,9-13H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol?
2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol has a molecular weight of 252.35 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol is sourced from PubChem (CID 165127154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).