1-[2,4-di(propan-2-yloxy)phenyl]propan-1-ol

C15H24O3 — CID 82263737

IUPAC1-[2,4-di(propan-2-yloxy)phenyl]propan-1-ol
SMILESCCC(O)c1ccc(OC(C)C)cc1OC(C)C
InChIInChI=1S/C15H24O3/c1-6-14(16)13-8-7-12(17-10(2)3)9-15(13)18-11(4)5/h7-11,14,16H,6H2,1-5H3
InChIKeyZBGPRYHPSDUYID-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.70
Rot. Bonds6

About 1-[2,4-di(propan-2-yloxy)phenyl]propan-1-ol

1-[2,4-di(propan-2-yloxy)phenyl]propan-1-ol (PubChem CID 82263737) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-[2,4-di(propan-2-yloxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2,4-di(propan-2-yloxy)phenyl]propan-1-ol
PubChem CID82263737
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-[2,4-di(propan-2-yloxy)phenyl]propan-1-ol
SMILESCCC(O)c1ccc(OC(C)C)cc1OC(C)C
InChIInChI=1S/C15H24O3/c1-6-14(16)13-8-7-12(17-10(2)3)9-15(13)18-11(4)5/h7-11,14,16H,6H2,1-5H3
InChIKeyZBGPRYHPSDUYID-UHFFFAOYSA-N
XLogP3.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 82263741
[2,4-di(propan-2-yloxy)phenyl]methanol
CID 12071268
N-[2,4-di(propan-2-yloxy)phenyl]hydroxylamine
CID 102213388
N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine
CID 54804735
2,5-di(propan-2-yloxy)phenol
CID 57426094
(2-amino-4-propan-2-yloxyphenyl)methanediol
CID 142498218
1-(2,4-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65150825
1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one
CID 82267817
(2-butanoyloxy-4-propan-2-yloxyphenyl) butanoate
CID 140675572
1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116
2-ethoxy-5-propan-2-yloxybenzoic acid
CID 152600647
2-ethoxy-4-propan-2-yloxybenzaldehyde
CID 141193639

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-di(propan-2-yloxy)phenyl]propan-1-ol?
The IUPAC name of 1-[2,4-di(propan-2-yloxy)phenyl]propan-1-ol (CID 82263737) is 1-[2,4-di(propan-2-yloxy)phenyl]propan-1-ol.
What is the SMILES notation for 1-[2,4-di(propan-2-yloxy)phenyl]propan-1-ol?
The canonical SMILES for 1-[2,4-di(propan-2-yloxy)phenyl]propan-1-ol is CCC(O)c1ccc(OC(C)C)cc1OC(C)C.
What is the InChIKey of 1-[2,4-di(propan-2-yloxy)phenyl]propan-1-ol?
The InChIKey is ZBGPRYHPSDUYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-6-14(16)13-8-7-12(17-10(2)3)9-15(13)18-11(4)5/h7-11,14,16H,6H2,1-5H3.
What are the key properties of 1-[2,4-di(propan-2-yloxy)phenyl]propan-1-ol?
1-[2,4-di(propan-2-yloxy)phenyl]propan-1-ol has a molecular weight of 252.35 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-di(propan-2-yloxy)phenyl]propan-1-ol is sourced from PubChem (CID 82263737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).