3-butoxy-4-fluorophenol

C10H13FO2 — CID 174949463

IUPAC3-butoxy-4-fluorophenol
SMILESCCCCOc1cc(O)ccc1F
InChIInChI=1S/C10H13FO2/c1-2-3-6-13-10-7-8(12)4-5-9(10)11/h4-5,7,12H,2-3,6H2,1H3
InChIKeyJJJDZXHEIAUIIN-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.71
Rot. Bonds4

About 3-butoxy-4-fluorophenol

3-butoxy-4-fluorophenol (PubChem CID 174949463) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 3-butoxy-4-fluorophenol.

Molecular Properties

Compound Name3-butoxy-4-fluorophenol
PubChem CID174949463
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name3-butoxy-4-fluorophenol
SMILESCCCCOc1cc(O)ccc1F
InChIInChI=1S/C10H13FO2/c1-2-3-6-13-10-7-8(12)4-5-9(10)11/h4-5,7,12H,2-3,6H2,1H3
InChIKeyJJJDZXHEIAUIIN-UHFFFAOYSA-N
XLogP2.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.71
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

3-butoxy-4-methylphenol
CID 54016675
2-butoxy-4-hydroxybenzoic acid
CID 70316659
1,4-difluoro-2-hexoxybenzene
CID 23437312
4-fluoro-3-prop-2-enoxyphenol
CID 11159544
4-bromo-2-(2-butoxyethoxy)-1-fluorobenzene
CID 115919154
2-hexadecoxy-4-hydroxybenzoic acid
CID 102239307
1-butoxy-2,3,4-trifluorobenzene
CID 53441447
4-nonoxybenzene-1,3-diol
CID 66563301
4-butoxy-5-fluorobenzene-1,2-diamine
CID 170437526
3-fluoro-4-(4-octoxyphenyl)phenol
CID 19430943
3-(4-fluoro-3-pentoxyphenyl)prop-2-yn-1-ol
CID 114675177
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-4-fluorophenol?
The IUPAC name of 3-butoxy-4-fluorophenol (CID 174949463) is 3-butoxy-4-fluorophenol.
What is the SMILES notation for 3-butoxy-4-fluorophenol?
The canonical SMILES for 3-butoxy-4-fluorophenol is CCCCOc1cc(O)ccc1F.
What is the InChIKey of 3-butoxy-4-fluorophenol?
The InChIKey is JJJDZXHEIAUIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-2-3-6-13-10-7-8(12)4-5-9(10)11/h4-5,7,12H,2-3,6H2,1H3.
What are the key properties of 3-butoxy-4-fluorophenol?
3-butoxy-4-fluorophenol has a molecular weight of 184.21 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-4-fluorophenol is sourced from PubChem (CID 174949463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).