Oxyphyllacinol

CAT: 0127-BUP08622-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08622-02Size:10 mg

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

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CAS Number

87657-77-0

Purity

=98%

Smiles

OC1=CC=C(C=C1OC)CCC(O)CCCCC=2C=CC=CC2

Chemical Information

Npc158916

Oxyphyllacinol has been reported in Alpinia oxyphylla with data available.

CAS Number	87657-77-0
PubChem CID	5320349
IUPAC Name	4-(3-hydroxy-7-phenylheptyl)-2-methoxyphenol
Molecular Formula	C20H26O3
Molecular Weight	314.4
XLogP	4.1
Topological Polar Surface Area	49.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Heavy Atom Count	23
Formal Charge	0
Complexity	301

SMILES

COC1=C(C=CC(=C1)CCC(CCCCC2=CC=CC=C2)O)O

InChI

InChI=1S/C20H26O3/c1-23-20-15-17(12-14-19(20)22)11-13-18(21)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,12,14-15,18,21-22H,5-6,9-11,13H2,1H3

InChIKey

DHUCMVAZNHOIPY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 87657-77-0

CID: 5320349

Formula: C20H26O3

MW: 314.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	314.4
XLogP3	4.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Exact Mass	314.18819469
Monoisotopic Mass	314.18819469
Topological Polar Surface Area	49.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	301
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
333070	Oxyphyllacinol