Antifungal agent 76

CAT: 0127-BUP01613-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP01613-01Size:1 mg

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

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CAS Number

1615683-57-2

Purity

=95%

Smiles

OC=1C=C(O)C=C(C1)C2=CC=C(C=C2)CCCCC

Chemical Information

Antifungal agent 76

CAS Number	1615683-57-2
PubChem CID	90240464
IUPAC Name	5-(4-pentylphenyl)benzene-1,3-diol
Molecular Formula	C17H20O2
Molecular Weight	256.34
XLogP	5.3
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	236

SMILES

CCCCCC1=CC=C(C=C1)C2=CC(=CC(=C2)O)O

InChI

InChI=1S/C17H20O2/c1-2-3-4-5-13-6-8-14(9-7-13)15-10-16(18)12-17(19)11-15/h6-12,18-19H,2-5H2,1H3

InChIKey

PASRRHHNIKADHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1615683-57-2

CID: 90240464

Formula: C17H20O2

MW: 256.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.34
XLogP3	5.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	256.146329876
Monoisotopic Mass	256.146329876
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	236
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