4-Dodecyl-o-cresol

CAT: 0024-sc-485483Size: 10 gDry Ice: NoHazardous: No

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CAT#:0024-sc-485483Size:10 g

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CAS Number

29665-59-6

Chemical Information

4-Dodecyl-2-methylphenol

CAS Number	29665-59-6
PubChem CID	578742
IUPAC Name	4-dodecyl-2-methylphenol
Molecular Formula	C19H32O
Molecular Weight	276.5
XLogP	8.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	11
Heavy Atom Count	20
Formal Charge	0
Complexity	214

SMILES

CCCCCCCCCCCCC1=CC(=C(C=C1)O)C

InChI

InChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-15-19(20)17(2)16-18/h14-16,20H,3-13H2,1-2H3

InChIKey

RJLWSJUUDKAMPQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29665-59-6

CID: 578742

Formula: C19H32O

MW: 276.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.5
XLogP3	8.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	11
Exact Mass	276.245315640
Monoisotopic Mass	276.245315640
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	214
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
sc-485457	2-Dodecyl-p-cresol
sc-216900	4-Mercapto-O-cresol
sc-206940	4-Thiocyanato-O-cresol
sc-491654	O-Cresol-4-sulfonic acid
sc-228856	O-Cresol-d8
sc-501604	O-Cresol-13C6
sc-232394	4-Amino-α-diethylamino-o-cresol dihydrochloride
sc-484693	4,6-Bis (octylthiomethyl) -o-cresol
sc-476135	4,4'-Thiobis (6-tert-butyl-o-cresol)
sc-476179	3,4,5,6-Tetrabromo-o-cresol