(4-butoxyphenyl)-(3,5-difluorophenyl)methanol

C17H18F2O2 — CID 105093285

IUPAC(4-butoxyphenyl)-(3,5-difluorophenyl)methanol
SMILESCCCCOc1ccc(C(O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C17H18F2O2/c1-2-3-8-21-16-6-4-12(5-7-16)17(20)13-9-14(18)11-15(19)10-13/h4-7,9-11,17,20H,2-3,8H2,1H3
InChIKeyAUQSQFKVMHQNRI-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.23
Rot. Bonds6

About (4-butoxyphenyl)-(3,5-difluorophenyl)methanol

(4-butoxyphenyl)-(3,5-difluorophenyl)methanol (PubChem CID 105093285) has the molecular formula C17H18F2O2 and a molecular weight of 292.33 g/mol. Its IUPAC name is (4-butoxyphenyl)-(3,5-difluorophenyl)methanol.

Molecular Properties

Compound Name(4-butoxyphenyl)-(3,5-difluorophenyl)methanol
PubChem CID105093285
Molecular FormulaC17H18F2O2
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name(4-butoxyphenyl)-(3,5-difluorophenyl)methanol
SMILESCCCCOc1ccc(C(O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C17H18F2O2/c1-2-3-8-21-16-6-4-12(5-7-16)17(20)13-9-14(18)11-15(19)10-13/h4-7,9-11,17,20H,2-3,8H2,1H3
InChIKeyAUQSQFKVMHQNRI-UHFFFAOYSA-N
XLogP4.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-butoxyphenyl)-(3,5-difluorophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(4-octoxyphenyl)methanol
CID 139262063
(4-butoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 105133325
(3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol
CID 140923051
(4-butoxyphenyl)-(5-methylthiophen-3-yl)methanol
CID 105103909
1-(4-butoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 63017882
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
(4-ethylphenyl)-(4-propoxyphenyl)methanol
CID 62796114
1-(3-fluoro-5-pentoxyphenyl)ethanol
CID 91657933
(1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol
CID 97294401
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
2-[[4-[3-[4-[(4-fluorophenyl)-hydroxymethyl]phenoxy]propoxy]phenyl]methyl]hexanoic acid
CID 142194180

Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-(3,5-difluorophenyl)methanol?
The IUPAC name of (4-butoxyphenyl)-(3,5-difluorophenyl)methanol (CID 105093285) is (4-butoxyphenyl)-(3,5-difluorophenyl)methanol.
What is the SMILES notation for (4-butoxyphenyl)-(3,5-difluorophenyl)methanol?
The canonical SMILES for (4-butoxyphenyl)-(3,5-difluorophenyl)methanol is CCCCOc1ccc(C(O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of (4-butoxyphenyl)-(3,5-difluorophenyl)methanol?
The InChIKey is AUQSQFKVMHQNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-2-3-8-21-16-6-4-12(5-7-16)17(20)13-9-14(18)11-15(19)10-13/h4-7,9-11,17,20H,2-3,8H2,1H3.
What are the key properties of (4-butoxyphenyl)-(3,5-difluorophenyl)methanol?
(4-butoxyphenyl)-(3,5-difluorophenyl)methanol has a molecular weight of 292.33 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-(3,5-difluorophenyl)methanol is sourced from PubChem (CID 105093285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).