4-(2-fluorophenoxy)butan-1-ol

C10H13FO2 — CID 43509993

IUPAC4-(2-fluorophenoxy)butan-1-ol
SMILESOCCCCOc1ccccc1F
InChIInChI=1S/C10H13FO2/c11-9-5-1-2-6-10(9)13-8-4-3-7-12/h1-2,5-6,12H,3-4,7-8H2
InChIKeyCSYHXXSOAZJSAT-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.98
Rot. Bonds5

About 4-(2-fluorophenoxy)butan-1-ol

4-(2-fluorophenoxy)butan-1-ol (PubChem CID 43509993) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)butan-1-ol.

Molecular Properties

Compound Name4-(2-fluorophenoxy)butan-1-ol
PubChem CID43509993
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name4-(2-fluorophenoxy)butan-1-ol
SMILESOCCCCOc1ccccc1F
InChIInChI=1S/C10H13FO2/c11-9-5-1-2-6-10(9)13-8-4-3-7-12/h1-2,5-6,12H,3-4,7-8H2
InChIKeyCSYHXXSOAZJSAT-UHFFFAOYSA-N
XLogP1.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951
6-(2,5-difluorophenoxy)hexan-1-ol
CID 103867914
3-(2,3-difluorophenoxy)propan-1-ol
CID 63037951
3-(2-fluorophenoxy)propane-1-thiol
CID 79001947
11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 139835438
1-fluoro-2-(4-phenylbutoxy)benzene
CID 91171700
1-(4-bromobutoxy)-2-fluorobenzene;1,4-dibromobutane;2-fluorophenol
CID 161283859
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol
CID 135239341
1-fluoro-2-(2-iodoethoxy)benzene
CID 64787952
11-(2-methylphenoxy)undecan-1-ol
CID 123672662
6-[2-(trifluoromethoxy)phenoxy]hexan-1-ol
CID 104856727

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)butan-1-ol?
The IUPAC name of 4-(2-fluorophenoxy)butan-1-ol (CID 43509993) is 4-(2-fluorophenoxy)butan-1-ol.
What is the SMILES notation for 4-(2-fluorophenoxy)butan-1-ol?
The canonical SMILES for 4-(2-fluorophenoxy)butan-1-ol is OCCCCOc1ccccc1F.
What is the InChIKey of 4-(2-fluorophenoxy)butan-1-ol?
The InChIKey is CSYHXXSOAZJSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c11-9-5-1-2-6-10(9)13-8-4-3-7-12/h1-2,5-6,12H,3-4,7-8H2.
What are the key properties of 4-(2-fluorophenoxy)butan-1-ol?
4-(2-fluorophenoxy)butan-1-ol has a molecular weight of 184.21 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)butan-1-ol is sourced from PubChem (CID 43509993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).