2-(3-propan-2-ylphenoxy)propan-1-ol

C12H18O2 — CID 82075961

IUPAC2-(3-propan-2-ylphenoxy)propan-1-ol
SMILESCC(CO)Oc1cccc(C(C)C)c1
InChIInChI=1S/C12H18O2/c1-9(2)11-5-4-6-12(7-11)14-10(3)8-13/h4-7,9-10,13H,8H2,1-3H3
InChIKeyCWWSPUPFTPODPD-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.57
Rot. Bonds4

About 2-(3-propan-2-ylphenoxy)propan-1-ol

2-(3-propan-2-ylphenoxy)propan-1-ol (PubChem CID 82075961) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-(3-propan-2-ylphenoxy)propan-1-ol.

Molecular Properties

Compound Name2-(3-propan-2-ylphenoxy)propan-1-ol
PubChem CID82075961
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-(3-propan-2-ylphenoxy)propan-1-ol
SMILESCC(CO)Oc1cccc(C(C)C)c1
InChIInChI=1S/C12H18O2/c1-9(2)11-5-4-6-12(7-11)14-10(3)8-13/h4-7,9-10,13H,8H2,1-3H3
InChIKeyCWWSPUPFTPODPD-UHFFFAOYSA-N
XLogP2.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminophenoxy)propan-1-ol
CID 130503390
4-(3-propan-2-ylphenoxy)pentan-1-amine
CID 62453134
ethane;2-(4-propan-2-ylphenoxy)propan-1-ol
CID 144970889
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
3-(1-hydroxypropan-2-yloxy)benzonitrile
CID 126975960
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794
1-propan-2-yl-3-(5,8,8-trimethylnonan-2-yloxy)benzene
CID 130223219
2-(3-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine
CID 62570863
2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62572417
2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine
CID 55195324
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylphenoxy)propan-1-ol?
The IUPAC name of 2-(3-propan-2-ylphenoxy)propan-1-ol (CID 82075961) is 2-(3-propan-2-ylphenoxy)propan-1-ol.
What is the SMILES notation for 2-(3-propan-2-ylphenoxy)propan-1-ol?
The canonical SMILES for 2-(3-propan-2-ylphenoxy)propan-1-ol is CC(CO)Oc1cccc(C(C)C)c1.
What is the InChIKey of 2-(3-propan-2-ylphenoxy)propan-1-ol?
The InChIKey is CWWSPUPFTPODPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9(2)11-5-4-6-12(7-11)14-10(3)8-13/h4-7,9-10,13H,8H2,1-3H3.
What are the key properties of 2-(3-propan-2-ylphenoxy)propan-1-ol?
2-(3-propan-2-ylphenoxy)propan-1-ol has a molecular weight of 194.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylphenoxy)propan-1-ol is sourced from PubChem (CID 82075961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).