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

C12H18O — CID 54527023

IUPAC3-(2-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccccc1CCCO
InChIInChI=1S/C12H18O/c1-10(2)12-8-4-3-6-11(12)7-5-9-13/h3-4,6,8,10,13H,5,7,9H2,1-2H3
InChIKeyYTVLKPNXDYJKRI-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.73
Rot. Bonds4

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

3-(2-propan-2-ylphenyl)propan-1-ol (PubChem CID 54527023) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-(2-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-propan-2-ylphenyl)propan-1-ol
PubChem CID54527023
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name3-(2-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccccc1CCCO
InChIInChI=1S/C12H18O/c1-10(2)12-8-4-3-6-11(12)7-5-9-13/h3-4,6,8,10,13H,5,7,9H2,1-2H3
InChIKeyYTVLKPNXDYJKRI-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 3-(2-propan-2-ylphenyl)propan-1-ol (CID 54527023) is 3-(2-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 3-(2-propan-2-ylphenyl)propan-1-ol is CC(C)c1ccccc1CCCO.
What is the InChIKey of 3-(2-propan-2-ylphenyl)propan-1-ol?
The InChIKey is YTVLKPNXDYJKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-10(2)12-8-4-3-6-11(12)7-5-9-13/h3-4,6,8,10,13H,5,7,9H2,1-2H3.
What are the key properties of 3-(2-propan-2-ylphenyl)propan-1-ol?
3-(2-propan-2-ylphenyl)propan-1-ol has a molecular weight of 178.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 54527023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).