1-[2-(difluoromethoxy)phenyl]-4-phenylbutan-1-ol

C17H18F2O2 — CID 65150664

IUPAC1-[2-(difluoromethoxy)phenyl]-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)c1ccccc1OC(F)F
InChIInChI=1S/C17H18F2O2/c18-17(19)21-16-12-5-4-10-14(16)15(20)11-6-9-13-7-2-1-3-8-13/h1-5,7-8,10,12,15,17,20H,6,9,11H2
InChIKeyIQAQXVSGRYPUNA-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.34
Rot. Bonds7

About 1-[2-(difluoromethoxy)phenyl]-4-phenylbutan-1-ol

1-[2-(difluoromethoxy)phenyl]-4-phenylbutan-1-ol (PubChem CID 65150664) has the molecular formula C17H18F2O2 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-4-phenylbutan-1-ol
PubChem CID65150664
Molecular FormulaC17H18F2O2
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name1-[2-(difluoromethoxy)phenyl]-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)c1ccccc1OC(F)F
InChIInChI=1S/C17H18F2O2/c18-17(19)21-16-12-5-4-10-14(16)15(20)11-6-9-13-7-2-1-3-8-13/h1-5,7-8,10,12,15,17,20H,6,9,11H2
InChIKeyIQAQXVSGRYPUNA-UHFFFAOYSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
CID 83158841
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine
CID 115794253
1-[2-(difluoromethoxy)phenyl]-3-thiophen-3-ylpropan-1-ol
CID 65150759
1-[2-(difluoromethoxy)phenyl]pent-4-yn-1-ol
CID 63894225
1-[2-(difluoromethoxy)phenyl]-3-methylbutan-1-ol
CID 63893645
1-[2-(difluoromethoxy)phenyl]-2-(3-methylphenyl)ethanol
CID 63017552
1-(2-chlorophenyl)-4-phenylbutan-1-ol
CID 62607678
(1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol
CID 104893874
1-[2-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
CID 63894999
1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine
CID 43194104
1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol
CID 115791096

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-4-phenylbutan-1-ol?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-4-phenylbutan-1-ol (CID 65150664) is 1-[2-(difluoromethoxy)phenyl]-4-phenylbutan-1-ol.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-4-phenylbutan-1-ol?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-4-phenylbutan-1-ol is OC(CCCc1ccccc1)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-4-phenylbutan-1-ol?
The InChIKey is IQAQXVSGRYPUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c18-17(19)21-16-12-5-4-10-14(16)15(20)11-6-9-13-7-2-1-3-8-13/h1-5,7-8,10,12,15,17,20H,6,9,11H2.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-4-phenylbutan-1-ol?
1-[2-(difluoromethoxy)phenyl]-4-phenylbutan-1-ol has a molecular weight of 292.33 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-4-phenylbutan-1-ol is sourced from PubChem (CID 65150664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).