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

C13H20O3 — CID 12071268

IUPAC[2,4-di(propan-2-yloxy)phenyl]methanol
SMILESCC(C)Oc1ccc(CO)c(OC(C)C)c1
InChIInChI=1S/C13H20O3/c1-9(2)15-12-6-5-11(8-14)13(7-12)16-10(3)4/h5-7,9-10,14H,8H2,1-4H3
InChIKeyJGPBURHRVJHCQJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.75
Rot. Bonds5

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

[2,4-di(propan-2-yloxy)phenyl]methanol (PubChem CID 12071268) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is [2,4-di(propan-2-yloxy)phenyl]methanol.

Molecular Properties

Compound Name[2,4-di(propan-2-yloxy)phenyl]methanol
PubChem CID12071268
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name[2,4-di(propan-2-yloxy)phenyl]methanol
SMILESCC(C)Oc1ccc(CO)c(OC(C)C)c1
InChIInChI=1S/C13H20O3/c1-9(2)15-12-6-5-11(8-14)13(7-12)16-10(3)4/h5-7,9-10,14H,8H2,1-4H3
InChIKeyJGPBURHRVJHCQJ-UHFFFAOYSA-N
XLogP2.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-2-propan-2-yloxyphenyl)methanol
CID 61267391
N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine
CID 54804735
1,3-bis[[2,4-di(propan-2-yloxy)phenyl]methyl]-5-methyl-2-propan-2-yloxybenzene
CID 54202072
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 61267389
[4-(hydroxymethyl)-3-methoxyphenyl] acetate
CID 57125799
2,5-di(propan-2-yloxy)phenol
CID 57426094
N-[2,4-di(propan-2-yloxy)phenyl]hydroxylamine
CID 102213388
1-[2,4-di(propan-2-yloxy)phenyl]propan-1-ol
CID 82263737
2-(4-hydroxy-3-propan-2-yloxyphenoxy)propane-1,3-diol
CID 77231109
[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 54957551
1-ethyl-4-(2-methylpropoxy)-2-propan-2-yloxybenzene
CID 123447747
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide
CID 61267766

Frequently Asked Questions

What is the IUPAC name of [2,4-di(propan-2-yloxy)phenyl]methanol?
The IUPAC name of [2,4-di(propan-2-yloxy)phenyl]methanol (CID 12071268) is [2,4-di(propan-2-yloxy)phenyl]methanol.
What is the SMILES notation for [2,4-di(propan-2-yloxy)phenyl]methanol?
The canonical SMILES for [2,4-di(propan-2-yloxy)phenyl]methanol is CC(C)Oc1ccc(CO)c(OC(C)C)c1.
What is the InChIKey of [2,4-di(propan-2-yloxy)phenyl]methanol?
The InChIKey is JGPBURHRVJHCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-9(2)15-12-6-5-11(8-14)13(7-12)16-10(3)4/h5-7,9-10,14H,8H2,1-4H3.
What are the key properties of [2,4-di(propan-2-yloxy)phenyl]methanol?
[2,4-di(propan-2-yloxy)phenyl]methanol has a molecular weight of 224.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-di(propan-2-yloxy)phenyl]methanol is sourced from PubChem (CID 12071268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).