1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol

C16H16F2O2 — CID 82920706

IUPAC1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol
SMILESOC(CCOc1ccccc1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2O2/c17-15-7-6-12(11-16(15)18)10-13(19)8-9-20-14-4-2-1-3-5-14/h1-7,11,13,19H,8-10H2
InChIKeyKOFJZHHSGPUKLH-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.34
Rot. Bonds6

About 1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol

1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol (PubChem CID 82920706) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol
PubChem CID82920706
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol
SMILESOC(CCOc1ccccc1)Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2O2/c17-15-7-6-12(11-16(15)18)10-13(19)8-9-20-14-4-2-1-3-5-14/h1-7,11,13,19H,8-10H2
InChIKeyKOFJZHHSGPUKLH-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol 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

1-(4-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798401
1-(3-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798521
1,5-diphenoxypentan-3-ol
CID 5314309
1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol
CID 62620850
5-(3,4-difluorophenoxy)-3-hydroxypentanoic acid
CID 112508599
1-(2-bromophenyl)-4-phenoxybutan-2-ol
CID 60798661
1-(5-ethyl-2-pyridinyl)-4-phenoxybutan-2-ol
CID 79745898
(3R)-1-phenoxyhexan-3-ol
CID 102063151
1-(3,4-difluorophenyl)-4-pyridin-4-ylbutan-2-ol
CID 105121810
1-(4-fluoro-3-methylphenyl)-3-phenoxypropan-1-ol
CID 62608597
1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 82919441
1-phenoxyhept-6-yn-3-ol
CID 63657279

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol (CID 82920706) is 1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol is OC(CCOc1ccccc1)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol?
The InChIKey is KOFJZHHSGPUKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c17-15-7-6-12(11-16(15)18)10-13(19)8-9-20-14-4-2-1-3-5-14/h1-7,11,13,19H,8-10H2.
What are the key properties of 1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol?
1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol has a molecular weight of 278.30 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol is sourced from PubChem (CID 82920706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).