1-[2-(2-hydroxyethyl)phenyl]-3,3-dimethylbutan-2-ol

C14H22O2 — CID 102015926

IUPAC1-[2-(2-hydroxyethyl)phenyl]-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)Cc1ccccc1CCO
InChIInChI=1S/C14H22O2/c1-14(2,3)13(16)10-12-7-5-4-6-11(12)8-9-15/h4-7,13,15-16H,8-10H2,1-3H3
InChIKeyTZRAQARHVBLLMK-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.17
Rot. Bonds4

About 1-[2-(2-hydroxyethyl)phenyl]-3,3-dimethylbutan-2-ol

1-[2-(2-hydroxyethyl)phenyl]-3,3-dimethylbutan-2-ol (PubChem CID 102015926) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)phenyl]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)phenyl]-3,3-dimethylbutan-2-ol
PubChem CID102015926
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-[2-(2-hydroxyethyl)phenyl]-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)Cc1ccccc1CCO
InChIInChI=1S/C14H22O2/c1-14(2,3)13(16)10-12-7-5-4-6-11(12)8-9-15/h4-7,13,15-16H,8-10H2,1-3H3
InChIKeyTZRAQARHVBLLMK-UHFFFAOYSA-N
XLogP2.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-hydroxy-3,3-dimethylbutyl)naphthalen-1-yl]-3,3-dimethylbutan-2-ol
CID 139893720
[2-(2-hydroxy-3,3-dimethylbutyl)phenyl]-oxoazanium;methanol
CID 143608364
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
2-[2-(2-fluoro-2-methylpropyl)phenyl]ethanol
CID 117286474
(3R)-4,4-dimethyl-1-phenylpentan-3-ol
CID 53244616
1-[2-(2-hydroxyethyl)phenyl]-4,4-dimethylpentan-3-one
CID 161299930
2-[2-[2-(2-methylphenyl)ethyl]phenyl]ethanol
CID 44723654
2-[2-(2-sulfanylethyl)phenyl]ethanol
CID 140853248
2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 102186248
4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol
CID 64514191
1-[2-(2-hydroxyethyl)phenyl]butane-1,2,4-triol
CID 171872248

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)phenyl]-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-[2-(2-hydroxyethyl)phenyl]-3,3-dimethylbutan-2-ol (CID 102015926) is 1-[2-(2-hydroxyethyl)phenyl]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)phenyl]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[2-(2-hydroxyethyl)phenyl]-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)Cc1ccccc1CCO.
What is the InChIKey of 1-[2-(2-hydroxyethyl)phenyl]-3,3-dimethylbutan-2-ol?
The InChIKey is TZRAQARHVBLLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-14(2,3)13(16)10-12-7-5-4-6-11(12)8-9-15/h4-7,13,15-16H,8-10H2,1-3H3.
What are the key properties of 1-[2-(2-hydroxyethyl)phenyl]-3,3-dimethylbutan-2-ol?
1-[2-(2-hydroxyethyl)phenyl]-3,3-dimethylbutan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)phenyl]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 102015926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).