2-Methyl-2-phenylpentan-3-ol

CAT: 0926-NDA79027-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-NDA79027-01Size:50 mg

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CAS Number

88790-27-6

MDL Number

MFCD17292155

Smiles

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

Molecular Formula

C12H18O

Molecular Weight

178.27 g/mol

Controlled

Chemical Information

2-Methyl-2-phenylpentan-3-ol

CAS Number	88790-27-6
PubChem CID	13130284
IUPAC Name	2-methyl-2-phenylpentan-3-ol
Molecular Formula	C12H18O
Molecular Weight	178.27
XLogP	3.3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	145

SMILES

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

InChI

InChI=1S/C12H18O/c1-4-11(13)12(2,3)10-8-6-5-7-9-10/h5-9,11,13H,4H2,1-3H3

InChIKey

FRLRVNXIRKQUKE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 88790-27-6

CID: 13130284

Formula: C12H18O

MW: 178.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.27
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	178.135765193
Monoisotopic Mass	178.135765193
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	145
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