2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol

C14H22O2 — CID 95445371

IUPAC2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
SMILESCC(C)COc1ccc(C(C)(C)CO)cc1
InChIInChI=1S/C14H22O2/c1-11(2)9-16-13-7-5-12(6-8-13)14(3,4)10-15/h5-8,11,15H,9-10H2,1-4H3
InChIKeyLVAJWRHTHATWHO-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.99
Rot. Bonds5

About 2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol

2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol (PubChem CID 95445371) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
PubChem CID95445371
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
SMILESCC(C)COc1ccc(C(C)(C)CO)cc1
InChIInChI=1S/C14H22O2/c1-11(2)9-16-13-7-5-12(6-8-13)14(3,4)10-15/h5-8,11,15H,9-10H2,1-4H3
InChIKeyLVAJWRHTHATWHO-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-ol
CID 117300551
2-[4-(2-methylpropoxy)phenyl]propan-2-amine
CID 50988085
N-ethyl-2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-amine
CID 62595361
2-methyl-1-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide
CID 111107736
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CID 62595732
acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol
CID 175113858
4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930158
(2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide
CID 86813594
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline
CID 54799086
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
3-amino-2-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide;hydrochloride
CID 120500609
N-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide
CID 110440877

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol?
The IUPAC name of 2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol (CID 95445371) is 2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol?
The canonical SMILES for 2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol is CC(C)COc1ccc(C(C)(C)CO)cc1.
What is the InChIKey of 2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol?
The InChIKey is LVAJWRHTHATWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(2)9-16-13-7-5-12(6-8-13)14(3,4)10-15/h5-8,11,15H,9-10H2,1-4H3.
What are the key properties of 2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol?
2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol is sourced from PubChem (CID 95445371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).