PSB-SB1202

CAT: 0926-ZFC04960-04Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-ZFC04960-04Size:50 mg

Selected

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

Quick Request Actions

CAS Number

1399049-60-5

Smiles

CCCCCC1=CC2=C (C=C (C (=O) O2) CC3=CC=CC=C3OC) C (=C1) OC

Molecular Formula

C23H26O4

Molecular Weight

366.4 g/mol

Controlled

Chemical Information

5-Methoxy-3-((2-methoxyphenyl)methyl)-7-pentyl-2H-1-benzopyran-2-one

CAS Number	1399049-60-5
PubChem CID	70677953
IUPAC Name	5-methoxy-3-[(2-methoxyphenyl)methyl]-7-pentylchromen-2-one
Molecular Formula	C23H26O4
Molecular Weight	366.4
XLogP	6.2
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	27
Formal Charge	0
Complexity	515

SMILES

CCCCCC1=CC2=C(C=C(C(=O)O2)CC3=CC=CC=C3OC)C(=C1)OC

InChI

InChI=1S/C23H26O4/c1-4-5-6-9-16-12-21(26-3)19-15-18(23(24)27-22(19)13-16)14-17-10-7-8-11-20(17)25-2/h7-8,10-13,15H,4-6,9,14H2,1-3H3

InChIKey

VZYCAUIYIZSPQY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1399049-60-5

CID: 70677953

Formula: C23H26O4

MW: 366.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	366.4
XLogP3	6.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	366.18310931
Monoisotopic Mass	366.18310931
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	515
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