2-(4-pentan-3-ylphenyl)propan-2-ol

C14H22O — CID 117295268

IUPAC2-(4-pentan-3-ylphenyl)propan-2-ol
SMILESCCC(CC)c1ccc(C(C)(C)O)cc1
InChIInChI=1S/C14H22O/c1-5-11(6-2)12-7-9-13(10-8-12)14(3,4)15/h7-11,15H,5-6H2,1-4H3
InChIKeyPAGGRBPTYCPFDB-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.82
Rot. Bonds4

About 2-(4-pentan-3-ylphenyl)propan-2-ol

2-(4-pentan-3-ylphenyl)propan-2-ol (PubChem CID 117295268) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(4-pentan-3-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-pentan-3-ylphenyl)propan-2-ol
PubChem CID117295268
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-(4-pentan-3-ylphenyl)propan-2-ol
SMILESCCC(CC)c1ccc(C(C)(C)O)cc1
InChIInChI=1S/C14H22O/c1-5-11(6-2)12-7-9-13(10-8-12)14(3,4)15/h7-11,15H,5-6H2,1-4H3
InChIKeyPAGGRBPTYCPFDB-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium
CID 178166385
2-hydroxy-2-(4-pentan-3-ylphenyl)propanoic acid
CID 59034872
2-(4-propan-2-ylphenyl)propan-2-ol
CID 18935
2-(3-bromo-4-pentan-3-ylphenyl)propan-2-ol
CID 117459199
1-tert-butyl-4-[(Z)-oct-5-en-3-yl]benzene
CID 83928771
1-phenylpropan-1-ol;2-phenylpropan-2-ol
CID 174769511
2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]propan-2-ol;2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 67743225
(4-pentan-3-ylphenyl)arsane
CID 173084602
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
3-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]propanoic acid
CID 117116162
4-[4-(5-carboxy-5-methylhexan-3-yl)phenyl]-2,2-dimethylhexanoic acid
CID 90345851
1,1,1,3,3,3-hexafluoro-2-[4-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pentyl]phenyl]propan-2-ol
CID 118531960

Frequently Asked Questions

What is the IUPAC name of 2-(4-pentan-3-ylphenyl)propan-2-ol?
The IUPAC name of 2-(4-pentan-3-ylphenyl)propan-2-ol (CID 117295268) is 2-(4-pentan-3-ylphenyl)propan-2-ol.
What is the SMILES notation for 2-(4-pentan-3-ylphenyl)propan-2-ol?
The canonical SMILES for 2-(4-pentan-3-ylphenyl)propan-2-ol is CCC(CC)c1ccc(C(C)(C)O)cc1.
What is the InChIKey of 2-(4-pentan-3-ylphenyl)propan-2-ol?
The InChIKey is PAGGRBPTYCPFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-11(6-2)12-7-9-13(10-8-12)14(3,4)15/h7-11,15H,5-6H2,1-4H3.
What are the key properties of 2-(4-pentan-3-ylphenyl)propan-2-ol?
2-(4-pentan-3-ylphenyl)propan-2-ol has a molecular weight of 206.33 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pentan-3-ylphenyl)propan-2-ol is sourced from PubChem (CID 117295268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).