4- (3-Phenylallyl) phenol

CAT: 0127-OR1074436-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1074436-01Size:100 mg

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CAS Number

24126-82-7

MDL Number

MFCD00016493

Purity

97%

Smiles

OC1=CC=C(C/C=C/C2=CC=CC=C2)C=C1

Chemical Information

Obtusastyrene

4-[(2E)-3-phenylprop-2-en-1-yl]phenol has been reported in Dalbergia retusa with data available.

CAS Number	24126-82-7
PubChem CID	5793914
IUPAC Name	4-[(E)-3-phenylprop-2-enyl]phenol
Molecular Formula	C15H14O
Molecular Weight	210.27
XLogP	4.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	207

SMILES

C1=CC=C(C=C1)/C=C/CC2=CC=C(C=C2)O

InChI

InChI=1S/C15H14O/c16-15-11-9-14(10-12-15)8-4-7-13-5-2-1-3-6-13/h1-7,9-12,16H,8H2/b7-4+

InChIKey

YNPGXIGIEYOFEX-QPJJXVBHSA-N

Chemical Structure

2D Structure

CAS: 24126-82-7

CID: 5793914

Formula: C15H14O

MW: 210.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.27
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	210.104465066
Monoisotopic Mass	210.104465066
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	207
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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PC909235-01	4- (3-Fluorophenyl) phenol
PC1006004	4- (3-Fluorophenoxy) phenol
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PC909236-01	3- (4-Fluorophenyl) phenol
OR954776-01	4- (3-Hydroxyphenyl) phenol
OR954768-01	4- (3-Methylphenyl) phenol