ethane;2-(4-propan-2-ylphenoxy)propan-1-ol

C14H24O2 — CID 144970889

IUPACethane;2-(4-propan-2-ylphenoxy)propan-1-ol
SMILESCC.CC(CO)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C12H18O2.C2H6/c1-9(2)11-4-6-12(7-5-11)14-10(3)8-13;1-2/h4-7,9-10,13H,8H2,1-3H3;1-2H3
InChIKeyOXWXSLUDMICONC-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.60
Rot. Bonds4

About ethane;2-(4-propan-2-ylphenoxy)propan-1-ol

ethane;2-(4-propan-2-ylphenoxy)propan-1-ol (PubChem CID 144970889) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethane;2-(4-propan-2-ylphenoxy)propan-1-ol.

Molecular Properties

Compound Nameethane;2-(4-propan-2-ylphenoxy)propan-1-ol
PubChem CID144970889
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethane;2-(4-propan-2-ylphenoxy)propan-1-ol
SMILESCC.CC(CO)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C12H18O2.C2H6/c1-9(2)11-4-6-12(7-5-11)14-10(3)8-13;1-2/h4-7,9-10,13H,8H2,1-3H3;1-2H3
InChIKeyOXWXSLUDMICONC-UHFFFAOYSA-N
XLogP3.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-butan-2-ylphenoxy)propan-1-ol
CID 54018787
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
2-(3-propan-2-ylphenoxy)propan-1-ol
CID 82075961
(2S)-2-(4-phenylphenoxy)propan-1-ol
CID 57166864
2-[4-(4-bromophenoxy)phenoxy]propan-1-ol
CID 21408033
2-[4-tri(propan-2-yl)silyloxyphenoxy]propan-1-ol
CID 46939521
3-amino-3-cyclopropyl-2-(4-propan-2-ylphenoxy)propan-1-ol
CID 114357850
N',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine
CID 54803489
2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol
CID 12804883
3-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 114996289
1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene
CID 126761972
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-propan-2-ylphenoxy)propan-1-ol?
The IUPAC name of ethane;2-(4-propan-2-ylphenoxy)propan-1-ol (CID 144970889) is ethane;2-(4-propan-2-ylphenoxy)propan-1-ol.
What is the SMILES notation for ethane;2-(4-propan-2-ylphenoxy)propan-1-ol?
The canonical SMILES for ethane;2-(4-propan-2-ylphenoxy)propan-1-ol is CC.CC(CO)Oc1ccc(C(C)C)cc1.
What is the InChIKey of ethane;2-(4-propan-2-ylphenoxy)propan-1-ol?
The InChIKey is OXWXSLUDMICONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2.C2H6/c1-9(2)11-4-6-12(7-5-11)14-10(3)8-13;1-2/h4-7,9-10,13H,8H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(4-propan-2-ylphenoxy)propan-1-ol?
ethane;2-(4-propan-2-ylphenoxy)propan-1-ol has a molecular weight of 224.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-propan-2-ylphenoxy)propan-1-ol is sourced from PubChem (CID 144970889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).