2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanol

C12H18O2 — CID 14794070

IUPAC2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanol
SMILESCC(C)(C)Oc1cccc(CCO)c1
InChIInChI=1S/C12H18O2/c1-12(2,3)14-11-6-4-5-10(9-11)7-8-13/h4-6,9,13H,7-8H2,1-3H3
InChIKeyDFCFIERLDFZZAT-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.40
Rot. Bonds3

About 2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanol

2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanol (PubChem CID 14794070) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanol
PubChem CID14794070
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanol
SMILESCC(C)(C)Oc1cccc(CCO)c1
InChIInChI=1S/C12H18O2/c1-12(2,3)14-11-6-4-5-10(9-11)7-8-13/h4-6,9,13H,7-8H2,1-3H3
InChIKeyDFCFIERLDFZZAT-UHFFFAOYSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride
CID 126802306
1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one
CID 58044331
1-but-2-enyl-3-[(2-methylpropan-2-yl)oxy]benzene
CID 54025707
3-[3-(trifluoromethoxy)phenyl]propan-1-ol
CID 53434391
3-methoxy-N-[2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propanamide
CID 110480490
2-(3-octoxyphenyl)ethanol
CID 141227544
2-[3-(2-hydroxyethyl)phenoxy]acetic acid
CID 19830841
[3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]phenyl]methanol
CID 21060332
tert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate
CID 129294526
3-[(2-methylpropan-2-yl)oxy]aniline
CID 19389149
1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 11298360
tert-butyl 2-[3-(3-aminopropyl)phenoxy]-2-methylpropanoate
CID 18766464

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanol?
The IUPAC name of 2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanol (CID 14794070) is 2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanol.
What is the SMILES notation for 2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanol?
The canonical SMILES for 2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanol is CC(C)(C)Oc1cccc(CCO)c1.
What is the InChIKey of 2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanol?
The InChIKey is DFCFIERLDFZZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-12(2,3)14-11-6-4-5-10(9-11)7-8-13/h4-6,9,13H,7-8H2,1-3H3.
What are the key properties of 2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanol?
2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanol has a molecular weight of 194.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanol is sourced from PubChem (CID 14794070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).