3-fluoro-2-methoxy-4-methylphenol

CAT: 0127-PC1016151-01Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-PC1016151-01Size:250 mg

Selected

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

Quick Request Actions

CAS Number

2385327-41-1

MDL Number

MFCD34529981

Purity

95%

Smiles

C1 (c (ccc (c1OC) O) C) F

Chemical Information

3-Fluoro-2-methoxy-4-methylphenol

CAS Number	2385327-41-1
PubChem CID	164891079
IUPAC Name	3-fluoro-2-methoxy-4-methylphenol
Molecular Formula	C8H9FO2
Molecular Weight	156.15
XLogP	2
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	129

SMILES

CC1=C(C(=C(C=C1)O)OC)F

InChI

InChI=1S/C8H9FO2/c1-5-3-4-6(10)8(11-2)7(5)9/h3-4,10H,1-2H3

InChIKey

MYIIKPKDRKVWLV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2385327-41-1

CID: 164891079

Formula: C8H9FO2

MW: 156.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.15
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	156.05865769
Monoisotopic Mass	156.05865769
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	129
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
PC1012264-01	3-Fluoro-4-methoxy-2-methylphenol
PC910257	4-Fluoro-2-methoxy-5-methylphenol
PC1012800-01	5-fluoro-2-methoxy-4-methylphenol
PC1004441-01	2-Fluoro-6-methoxy-4-methylphenol
PC1013603-01	5-Fluoro-4-methoxy-2-methylphenol
PC1012705-01	2-fluoro-4-methoxy-5-methylphenol
PC1003041-01	2-Fluoro-6-methoxy-3-methylphenol
PC1015980-01	2-fluoro-3-methoxy-6-methylphenol
PC1024002-01	3-fluoro-6-methoxy-2-methylphenol
PC1016929-01	4-Bromo-6-fluoro-2-methoxy-3-methylphenol