Lifibrol

CAT: 0127-BUP11610-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11610-04Size:50 mg

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

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CAS Number

96609-16-4

Synonyms

U 83860, K-12.148, U-83860, K-12148, K12148

Purity

=98%

Smiles

C(CC(COC1=CC=C(C(O)=O)C=C1)O)C2=CC=C(C(C)(C)C)C=C2

Chemical Information

Lifibrol

Lifibrol is an alkylbenzene.

CAS Number	96609-16-4
PubChem CID	57112
IUPAC Name	4-[4-(4-tert-butylphenyl)-2-hydroxybutoxy]benzoic acid
Molecular Formula	C21H26O4
Molecular Weight	342.4
XLogP	4.8
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	25
Formal Charge	0
Complexity	399

SMILES

CC(C)(C)C1=CC=C(C=C1)CCC(COC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C21H26O4/c1-21(2,3)17-9-4-15(5-10-17)6-11-18(22)14-25-19-12-7-16(8-13-19)20(23)24/h4-5,7-10,12-13,18,22H,6,11,14H2,1-3H3,(H,23,24)

InChIKey

LNXBEIZREVRNTF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 96609-16-4

CID: 57112

Formula: C21H26O4

MW: 342.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.4
XLogP3	4.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	342.18310931
Monoisotopic Mass	342.18310931
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	399
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS5777534	Lifibrol