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4-Isopropoxy-2-methylphenol

CAT: 0127-OR1081464-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1081464-01Size:250 mg
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CAS Number
1243374-05-1
MDL Number
MFCD16997367
Purity
95%
Smiles
C1c (cc (c (c1) O) C) OC (C) C

Chemical Information

4-Isopropoxy-2-methylphenol
CAS Number1243374-05-1
PubChem CID20737142
IUPAC Name2-methyl-4-propan-2-yloxyphenol
Molecular FormulaC10H14O2
Molecular Weight166.22
XLogP2.1
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity134
SMILES
CC1=C(C=CC(=C1)OC(C)C)O
InChI
InChI=1S/C10H14O2/c1-7(2)12-9-4-5-10(11)8(3)6-9/h4-7,11H,1-3H3
InChIKey
XEDRITKMMGBNOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Isopropoxy-2-methylphenol
CAS: 1243374-05-1
CID: 20737142
Formula: C10H14O2
MW: 166.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.22
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass166.099379685
Monoisotopic Mass166.099379685
Topological Polar Surface Area29.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity134
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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