4-chloro-2-ethylphenol

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CAS Number

18979-90-3

MDL Number

MFCD00128091

Smiles

C1 (c (ccc (c1) Cl) O) CC

Chemical Information

4-Chloro-2-Ethylphenol

CAS Number	18979-90-3
PubChem CID	29357
IUPAC Name	4-chloro-2-ethylphenol
Molecular Formula	C8H9ClO
Molecular Weight	156.61
XLogP	2.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	105

SMILES

CCC1=C(C=CC(=C1)Cl)O

InChI

InChI=1S/C8H9ClO/c1-2-6-5-7(9)3-4-8(6)10/h3-5,10H,2H2,1H3

InChIKey

QCEDDUSMBLCRNH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18979-90-3

CID: 29357

Formula: C8H9ClO

MW: 156.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.61
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	156.0341926
Monoisotopic Mass	156.0341926
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	105
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes