2-Methyl-6-propylphenol

CAT: 0127-OR1045794-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1045794-01Size:250 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

3520-52-3

MDL Number

MFCD00086137

Purity

95%

Smiles

OC1=C(CCC)C=CC=C1C

Chemical Information

2-Methyl-6-propylphenol

CAS Number	3520-52-3
PubChem CID	248475
IUPAC Name	2-methyl-6-propylphenol
Molecular Formula	C10H14O
Molecular Weight	150.22
XLogP	3.3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	111

SMILES

CCCC1=CC=CC(=C1O)C

InChI

InChI=1S/C10H14O/c1-3-5-9-7-4-6-8(2)10(9)11/h4,6-7,11H,3,5H2,1-2H3

InChIKey

NXSQQKKFGJHACS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3520-52-3

CID: 248475

Formula: C10H14O

MW: 150.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.22
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	150.104465066
Monoisotopic Mass	150.104465066
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	111
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
AR-P31192-01	5-Methyl-2-Propylphenol
TRC-I872895-5MG	2-Isopropyl-6-propylphenol
GAA76682-01	2,6-Dimethoxy-4-propylphenol
sc-230653	2-Propylphenol
P27790-01	2-N-Propylphenol
sc-213834	2-Isopropyl-6-propylphenol (Propofol Impurity O)
ICA53927-01	2-Methoxy-5-propylphenol
TN9775-01	2-Methoxy-4-propylphenol
I872701	2-iso-Propylphenol-d12
S-4301	2-n-Propylphenol - 1ML