1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol

C13H20O2 — CID 117114443

IUPAC1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol
SMILESCOC(C)(C)c1ccccc1CC(C)O
InChIInChI=1S/C13H20O2/c1-10(14)9-11-7-5-6-8-12(11)13(2,3)15-4/h5-8,10,14H,9H2,1-4H3
InChIKeyIPPNBNZUZDZROR-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.49
Rot. Bonds4

About 1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol

1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol (PubChem CID 117114443) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol
PubChem CID117114443
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol
SMILESCOC(C)(C)c1ccccc1CC(C)O
InChIInChI=1S/C13H20O2/c1-10(14)9-11-7-5-6-8-12(11)13(2,3)15-4/h5-8,10,14H,9H2,1-4H3
InChIKeyIPPNBNZUZDZROR-UHFFFAOYSA-N
XLogP2.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1,1-difluoroethyl)phenyl]propan-2-ol
CID 117289321
2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid
CID 117111517
N-[[2-(2-methoxypropan-2-yl)phenyl]methyl]hydroxylamine
CID 117110998
1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one
CID 117114917
3-[2-(2-hydroxypropyl)phenyl]-3-methylbutanoic acid
CID 115112921
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
1-(2-methoxypropan-2-yl)-2-(3,3,3-trifluoropropyl)benzene
CID 129279587
1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
CID 117339947
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
2-[2-(2-methoxypropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117113629
2-(2-hydroxypropyl)-6-(trifluoromethyl)phenol
CID 117313740
2-[2-(2-hydroxypropyl)phenyl]acetic acid
CID 117111520

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol?
The IUPAC name of 1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol (CID 117114443) is 1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol?
The canonical SMILES for 1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol is COC(C)(C)c1ccccc1CC(C)O.
What is the InChIKey of 1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol?
The InChIKey is IPPNBNZUZDZROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10(14)9-11-7-5-6-8-12(11)13(2,3)15-4/h5-8,10,14H,9H2,1-4H3.
What are the key properties of 1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol?
1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-ol is sourced from PubChem (CID 117114443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).