4- (1-Adamantyl) phenol

CAT: 0926-FA07665-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-FA07665-01Size:5 g

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CAS Number

29799-07-3

MDL Number

MFCD00168143

Smiles

C1C2CC3CC1CC (C2) (C3) C4=CC=C (C=C4) O

Molecular Formula

C16H20O

Molecular Weight

228.33 g/mol

Controlled

Chemical Information

4-(1-Adamantyl)phenol

structure in first source

CAS Number	29799-07-3
PubChem CID	269933
IUPAC Name	4-(1-adamantyl)phenol
Molecular Formula	C16H20O
Molecular Weight	228.33
XLogP	5.2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	259

SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)O

InChI

InChI=1S/C16H20O/c17-15-3-1-14(2-4-15)16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13,17H,5-10H2

InChIKey

KZMYFIUFUAOZHP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29799-07-3

CID: 269933

Formula: C16H20O

MW: 228.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.33
XLogP3	5.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	228.151415257
Monoisotopic Mass	228.151415257
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	259
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

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