1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol

C14H22O3 — CID 103457274

IUPAC1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol
SMILESCCOc1ccccc1C(O)C(O)C(C)(C)C
InChIInChI=1S/C14H22O3/c1-5-17-11-9-7-6-8-10(11)12(15)13(16)14(2,3)4/h6-9,12-13,15-16H,5H2,1-4H3
InChIKeyPPHSZVLWHJKSSD-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.53
Rot. Bonds4

About 1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol

1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol (PubChem CID 103457274) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol
PubChem CID103457274
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol
SMILESCCOc1ccccc1C(O)C(O)C(C)(C)C
InChIInChI=1S/C14H22O3/c1-5-17-11-9-7-6-8-10(11)12(15)13(16)14(2,3)4/h6-9,12-13,15-16H,5H2,1-4H3
InChIKeyPPHSZVLWHJKSSD-UHFFFAOYSA-N
XLogP2.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethoxyphenyl)-hydroxymethyl]butanoic acid
CID 62397820
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1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
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1-(2-ethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115533471
2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol
CID 107140033
2-amino-1-(2-ethoxyphenyl)-4-methylpentan-1-ol
CID 62763452
2-methoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659647
1-(2-ethoxyphenyl)-2-methoxy-2-phenylethanol
CID 116757008
2-ethoxy-1-(2-ethoxyphenyl)-2-phenylethanol
CID 116757235
2-chloro-1-(2-ethoxyphenyl)ethanol
CID 83001097
2-ethoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659557

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol?
The IUPAC name of 1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol (CID 103457274) is 1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol?
The canonical SMILES for 1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol is CCOc1ccccc1C(O)C(O)C(C)(C)C.
What is the InChIKey of 1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol?
The InChIKey is PPHSZVLWHJKSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-17-11-9-7-6-8-10(11)12(15)13(16)14(2,3)4/h6-9,12-13,15-16H,5H2,1-4H3.
What are the key properties of 1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol?
1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol has a molecular weight of 238.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol is sourced from PubChem (CID 103457274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).