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

C12H18O — CID 21243708

IUPAC1-(3-propan-2-ylphenyl)propan-2-ol
SMILESCC(O)Cc1cccc(C(C)C)c1
InChIInChI=1S/C12H18O/c1-9(2)12-6-4-5-11(8-12)7-10(3)13/h4-6,8-10,13H,7H2,1-3H3
InChIKeyPTCONCVHDYBONT-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.73
Rot. Bonds3

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

1-(3-propan-2-ylphenyl)propan-2-ol (PubChem CID 21243708) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-(3-propan-2-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-propan-2-ylphenyl)propan-2-ol
PubChem CID21243708
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1-(3-propan-2-ylphenyl)propan-2-ol
SMILESCC(O)Cc1cccc(C(C)C)c1
InChIInChI=1S/C12H18O/c1-9(2)12-6-4-5-11(8-12)7-10(3)13/h4-6,8-10,13H,7H2,1-3H3
InChIKeyPTCONCVHDYBONT-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(difluoromethyl)phenyl]propan-2-ol
CID 117280458
1-(2,2-difluoroethyl)-3-propan-2-ylbenzene
CID 177118676
1-(3-ethylphenyl)propan-2-ol
CID 85092525
2-phenyl-1-(3-propan-2-ylphenyl)ethanol
CID 59798288
(3-propan-2-ylphenyl)methanamine
CID 21085835
1-(hydroperoxymethyl)-3-propan-2-ylbenzene
CID 86217956
CID 69064198
CID 69064198
1-(methylsulfanylmethyl)-3-propan-2-ylbenzene
CID 91388847
2-phenyl-1-(3-propan-2-ylphenyl)ethanone
CID 146007200
1-(3-chloro-5-propan-2-ylphenyl)propan-2-ol
CID 117303457
4-(3-propan-2-ylphenyl)butan-2-one
CID 129128469
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117286468

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylphenyl)propan-2-ol?
The IUPAC name of 1-(3-propan-2-ylphenyl)propan-2-ol (CID 21243708) is 1-(3-propan-2-ylphenyl)propan-2-ol.
What is the SMILES notation for 1-(3-propan-2-ylphenyl)propan-2-ol?
The canonical SMILES for 1-(3-propan-2-ylphenyl)propan-2-ol is CC(O)Cc1cccc(C(C)C)c1.
What is the InChIKey of 1-(3-propan-2-ylphenyl)propan-2-ol?
The InChIKey is PTCONCVHDYBONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-9(2)12-6-4-5-11(8-12)7-10(3)13/h4-6,8-10,13H,7H2,1-3H3.
What are the key properties of 1-(3-propan-2-ylphenyl)propan-2-ol?
1-(3-propan-2-ylphenyl)propan-2-ol has a molecular weight of 178.27 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylphenyl)propan-2-ol is sourced from PubChem (CID 21243708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).