Metacresol EP Impurity K

CAT: 1299-RM-M200211-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M200211-01Size:10 mg

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CAS Number

123-07-9

Synonyms

4-ethylphenol

Molecular Formula

C8H10O

Molecular Weight

122.16

Target Alternative Name

Metacresol

Product Name Synonym

4-ethylphenol

Chemical Information

4-Ethylphenol

4-ethylphenol is a member of the class of phenols carrying an ethyl substituent at position 4. It has a role as a fungal xenobiotic metabolite.

CAS Number	123-07-9
PubChem CID	31242
IUPAC Name	4-ethylphenol
Molecular Formula	C8H10O
Molecular Weight	122.16
XLogP	2.6
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	72

SMILES

CCC1=CC=C(C=C1)O

InChI

InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3

InChIKey

HXDOZKJGKXYMEW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 123-07-9

CID: 31242

Formula: C8H10O

MW: 122.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	122.16
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	122.073164938
Monoisotopic Mass	122.073164938
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	72.6
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

Catalog	Name
RM-M200213-01	Metacresol EP Impurity M
RM-M200206-01	Metacresol EP Impurity F
RM-M200212-01	Metacresol EP Impurity L
RM-M200209-01	Metacresol EP Impurity I
RM-M200208-01	Metacresol EP Impurity H
RM-M200205-01	Metacresol EP Impurity E
RM-M200210-01	Metacresol EP Impurity J
RM-M052401-01	Mexiletine EP Impurity A; Metacresol EP Impurity D
RM-G051301-01	Gemfibrozil EP Impurity A; Metacresol EP Impurity G
RG-C180501-01	Amylmetacresol EP Impurity B; Metacresol EP Impurity B

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