acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol

C14H22O4 — CID 175113858

IUPACacetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol
SMILESCC(=O)O.CCOc1ccc(C(C)(C)CO)cc1
InChIInChI=1S/C12H18O2.C2H4O2/c1-4-14-11-7-5-10(6-8-11)12(2,3)9-13;1-2(3)4/h5-8,13H,4,9H2,1-3H3;1H3,(H,3,4)
InChIKeyNJZXNAVBXQWQIX-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.45
Rot. Bonds4

About acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol

acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol (PubChem CID 175113858) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Nameacetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol
PubChem CID175113858
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Nameacetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol
SMILESCC(=O)O.CCOc1ccc(C(C)(C)CO)cc1
InChIInChI=1S/C12H18O2.C2H4O2/c1-4-14-11-7-5-10(6-8-11)12(2,3)9-13;1-2(3)4/h5-8,13H,4,9H2,1-3H3;1H3,(H,3,4)
InChIKeyNJZXNAVBXQWQIX-UHFFFAOYSA-N
XLogP2.45
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-ol
CID 117300551
[3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate
CID 139891574
2-(4-ethoxyphenyl)propan-2-yl acetate
CID 129179659
methyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate
CID 21348092
2-ethoxy-2-(4-ethoxyphenyl)propanoic acid
CID 114990539
2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 95445371
[4-(1-hydroxy-2-methylpropan-2-yl)phenyl] butanoate
CID 175284229
3-(4-ethoxyphenyl)-2-ethyl-3-hydroxybutanoic acid
CID 55139482
2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol
CID 61050322
3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 79019164
1-(4-ethoxyphenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213639
3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79830478

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol?
The IUPAC name of acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol (CID 175113858) is acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol?
The canonical SMILES for acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol is CC(=O)O.CCOc1ccc(C(C)(C)CO)cc1.
What is the InChIKey of acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol?
The InChIKey is NJZXNAVBXQWQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2.C2H4O2/c1-4-14-11-7-5-10(6-8-11)12(2,3)9-13;1-2(3)4/h5-8,13H,4,9H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol?
acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 175113858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).