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(2,4-dichlorophenyl) (4-ethylphenyl) methanol

CAT: 0127-OR1081946-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1081946-01Size:250 mg
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CAS Number
1273924-71-2
MDL Number
MFCD16358140
Purity
95%
Smiles
C1 (ccc (cc1) CC) C (O) c1c (cc (cc1) Cl) Cl

Chemical Information

(2,4-Dichlorophenyl)(4-ethylphenyl)methanol
CAS Number1273924-71-2
PubChem CID55136847
IUPAC Name(2,4-dichlorophenyl)-(4-ethylphenyl)methanol
Molecular FormulaC15H14Cl2O
Molecular Weight281.2
XLogP4.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity251
SMILES
CCC1=CC=C(C=C1)C(C2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C15H14Cl2O/c1-2-10-3-5-11(6-4-10)15(18)13-8-7-12(16)9-14(13)17/h3-9,15,18H,2H2,1H3
InChIKey
LOBRMGAVLAHRPS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2,4-Dichlorophenyl)(4-ethylphenyl)methanol
CAS: 1273924-71-2
CID: 55136847
Formula: C15H14Cl2O
MW: 281.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight281.2
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass280.0421705
Monoisotopic Mass280.0421705
Topological Polar Surface Area20.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity251
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes