1-(4-butoxyphenyl)-2-(4-fluorophenyl)ethanol

C18H21FO2 — CID 63017882

IUPAC1-(4-butoxyphenyl)-2-(4-fluorophenyl)ethanol
SMILESCCCCOc1ccc(C(O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FO2/c1-2-3-12-21-17-10-6-15(7-11-17)18(20)13-14-4-8-16(19)9-5-14/h4-11,18,20H,2-3,12-13H2,1H3
InChIKeyFWCQGVKVAKMVGH-UHFFFAOYSA-N
MW288.36 g/mol
LogP4.28
Rot. Bonds7

About 1-(4-butoxyphenyl)-2-(4-fluorophenyl)ethanol

1-(4-butoxyphenyl)-2-(4-fluorophenyl)ethanol (PubChem CID 63017882) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-2-(4-fluorophenyl)ethanol
PubChem CID63017882
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name1-(4-butoxyphenyl)-2-(4-fluorophenyl)ethanol
SMILESCCCCOc1ccc(C(O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FO2/c1-2-3-12-21-17-10-6-15(7-11-17)18(20)13-14-4-8-16(19)9-5-14/h4-11,18,20H,2-3,12-13H2,1H3
InChIKeyFWCQGVKVAKMVGH-UHFFFAOYSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 54.28
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-(4-butoxyphenyl)propan-1-ol
CID 19979001
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
2-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 61087614
2-[[4-[3-[4-[(4-fluorophenyl)-hydroxymethyl]phenoxy]propoxy]phenyl]methyl]hexanoic acid
CID 142194180
2-(4-fluorophenyl)-1-(4-phenoxyphenyl)ethanol
CID 142628862
(4-butoxyphenyl)-(3,5-difluorophenyl)methanol
CID 105093285
1-(4-ethoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346759
2-bromo-1-(4-octoxyphenyl)ethanol
CID 118331988
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
2-(5-bromo-2-fluorophenyl)-1-(4-propoxyphenyl)ethanol
CID 65146068
(1R)-2-(4-fluorophenyl)-1-phenylethanol
CID 93312313
1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 82073798

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-2-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(4-butoxyphenyl)-2-(4-fluorophenyl)ethanol (CID 63017882) is 1-(4-butoxyphenyl)-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-butoxyphenyl)-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-butoxyphenyl)-2-(4-fluorophenyl)ethanol is CCCCOc1ccc(C(O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-2-(4-fluorophenyl)ethanol?
The InChIKey is FWCQGVKVAKMVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO2/c1-2-3-12-21-17-10-6-15(7-11-17)18(20)13-14-4-8-16(19)9-5-14/h4-11,18,20H,2-3,12-13H2,1H3.
What are the key properties of 1-(4-butoxyphenyl)-2-(4-fluorophenyl)ethanol?
1-(4-butoxyphenyl)-2-(4-fluorophenyl)ethanol has a molecular weight of 288.36 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 63017882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).