3-phenyl-2-propan-2-yloxypropan-1-ol

C12H18O2 — CID 174505154

IUPAC3-phenyl-2-propan-2-yloxypropan-1-ol
SMILESCC(C)OC(CO)Cc1ccccc1
InChIInChI=1S/C12H18O2/c1-10(2)14-12(9-13)8-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3
InChIKeyMHVJTCQXOSAWCY-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.02
Rot. Bonds5

About 3-phenyl-2-propan-2-yloxypropan-1-ol

3-phenyl-2-propan-2-yloxypropan-1-ol (PubChem CID 174505154) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-phenyl-2-propan-2-yloxypropan-1-ol.

Molecular Properties

Compound Name3-phenyl-2-propan-2-yloxypropan-1-ol
PubChem CID174505154
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-phenyl-2-propan-2-yloxypropan-1-ol
SMILESCC(C)OC(CO)Cc1ccccc1
InChIInChI=1S/C12H18O2/c1-10(2)14-12(9-13)8-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3
InChIKeyMHVJTCQXOSAWCY-UHFFFAOYSA-N
XLogP2.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methoxy-3-phenylpropan-1-ol
CID 12696531
(2S)-3-phenyl-2-phenylmethoxypropan-1-ol
CID 11831604
(3-methyl-2-propan-2-yloxybutyl)benzene
CID 3839106
(2R)-2-benzyl-3-methylpentan-1-ol
CID 15214035
[2-[2,3-di(propan-2-yloxy)propoxy]-2-ethoxyethyl]benzene
CID 145053413
8-phenyl-5-propan-2-yloxyoctan-1-ol
CID 11173113
[(2S)-1-hydroxy-3-phenylpropan-2-yl] benzoate
CID 71568607
2-(2-methoxyethoxymethoxy)-3-phenylpropan-1-ol
CID 11424981
bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)
CID 162250352
3-(1-amino-3-phenylpropan-2-yl)oxybutan-2-ol
CID 103377034
[3-chloro-2-(1-chloro-3-phenylpropan-2-yl)oxypropyl]benzene
CID 141203341
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-propan-2-yloxypropan-1-ol?
The IUPAC name of 3-phenyl-2-propan-2-yloxypropan-1-ol (CID 174505154) is 3-phenyl-2-propan-2-yloxypropan-1-ol.
What is the SMILES notation for 3-phenyl-2-propan-2-yloxypropan-1-ol?
The canonical SMILES for 3-phenyl-2-propan-2-yloxypropan-1-ol is CC(C)OC(CO)Cc1ccccc1.
What is the InChIKey of 3-phenyl-2-propan-2-yloxypropan-1-ol?
The InChIKey is MHVJTCQXOSAWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-10(2)14-12(9-13)8-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3.
What are the key properties of 3-phenyl-2-propan-2-yloxypropan-1-ol?
3-phenyl-2-propan-2-yloxypropan-1-ol has a molecular weight of 194.27 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-propan-2-yloxypropan-1-ol is sourced from PubChem (CID 174505154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).