1-(2-butoxy-3,5-difluorophenyl)ethanol

C12H16F2O2 — CID 91656918

IUPAC1-(2-butoxy-3,5-difluorophenyl)ethanol
SMILESCCCCOc1c(F)cc(F)cc1C(C)O
InChIInChI=1S/C12H16F2O2/c1-3-4-5-16-12-10(8(2)15)6-9(13)7-11(12)14/h6-8,15H,3-5H2,1-2H3
InChIKeyHHHPQVXGFDKUNJ-UHFFFAOYSA-N
MW230.25 g/mol
LogP3.20
Rot. Bonds5

About 1-(2-butoxy-3,5-difluorophenyl)ethanol

1-(2-butoxy-3,5-difluorophenyl)ethanol (PubChem CID 91656918) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 1-(2-butoxy-3,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-butoxy-3,5-difluorophenyl)ethanol
PubChem CID91656918
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name1-(2-butoxy-3,5-difluorophenyl)ethanol
SMILESCCCCOc1c(F)cc(F)cc1C(C)O
InChIInChI=1S/C12H16F2O2/c1-3-4-5-16-12-10(8(2)15)6-9(13)7-11(12)14/h6-8,15H,3-5H2,1-2H3
InChIKeyHHHPQVXGFDKUNJ-UHFFFAOYSA-N
XLogP3.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 53.20
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

1-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 84661308
2-amino-2-(2-ethoxy-3,5-difluorophenyl)ethanol
CID 83887419
1-(5-ethyl-3-fluoro-2-methoxyphenyl)ethanol
CID 84668298
3,5-difluoro-2-pentoxybenzenethiol
CID 91655651
(3,5-difluoro-2-hexoxyphenyl)methanol
CID 91658009
(1S)-1-(4-fluoro-2-pentoxyphenyl)ethanol
CID 78932382
3,5-difluoro-2-pentoxybenzoyl chloride
CID 91655224
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
3-butoxy-1,2,4,5-tetrafluorobenzene
CID 22416140
1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248
1-(3-fluoro-5-pentoxyphenyl)ethanol
CID 91657933
(1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol
CID 97294401

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxy-3,5-difluorophenyl)ethanol?
The IUPAC name of 1-(2-butoxy-3,5-difluorophenyl)ethanol (CID 91656918) is 1-(2-butoxy-3,5-difluorophenyl)ethanol.
What is the SMILES notation for 1-(2-butoxy-3,5-difluorophenyl)ethanol?
The canonical SMILES for 1-(2-butoxy-3,5-difluorophenyl)ethanol is CCCCOc1c(F)cc(F)cc1C(C)O.
What is the InChIKey of 1-(2-butoxy-3,5-difluorophenyl)ethanol?
The InChIKey is HHHPQVXGFDKUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-3-4-5-16-12-10(8(2)15)6-9(13)7-11(12)14/h6-8,15H,3-5H2,1-2H3.
What are the key properties of 1-(2-butoxy-3,5-difluorophenyl)ethanol?
1-(2-butoxy-3,5-difluorophenyl)ethanol has a molecular weight of 230.25 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxy-3,5-difluorophenyl)ethanol is sourced from PubChem (CID 91656918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).