4-Phenoxy-1-butanol

CAT: 0926-FP157453-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-FP157453-01Size:100 mg

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CAS Number

1927-71-5

MDL Number

MFCD00518629

Smiles

C1=CC=C (C=C1) OCCCCO

Molecular Formula

C10H14O2

Molecular Weight

166.22 g/mol

Controlled

Yes

Chemical Information

4-Phenoxybutan-1-ol

CAS Number	1927-71-5
PubChem CID	219683
IUPAC Name	4-phenoxybutan-1-ol
Molecular Formula	C10H14O2
Molecular Weight	166.22
XLogP	2.3
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	12
Formal Charge	0
Complexity	98

SMILES

C1=CC=C(C=C1)OCCCCO

InChI

InChI=1S/C10H14O2/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2

InChIKey

OYQUCYCSSADEIC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1927-71-5

CID: 219683

Formula: C10H14O2

MW: 166.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.22
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	166.099379685
Monoisotopic Mass	166.099379685
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	98
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