3-(1-fluorooctan-4-yl)phenol

C14H21FO — CID 145284154

IUPAC3-(1-fluorooctan-4-yl)phenol
SMILESCCCCC(CCCF)c1cccc(O)c1
InChIInChI=1S/C14H21FO/c1-2-3-6-12(8-5-10-15)13-7-4-9-14(16)11-13/h4,7,9,11-12,16H,2-3,5-6,8,10H2,1H3
InChIKeyANBSFBXZWJRDCN-UHFFFAOYSA-N
MW224.32 g/mol
LogP4.42
Rot. Bonds7

About 3-(1-fluorooctan-4-yl)phenol

3-(1-fluorooctan-4-yl)phenol (PubChem CID 145284154) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 3-(1-fluorooctan-4-yl)phenol.

Molecular Properties

Compound Name3-(1-fluorooctan-4-yl)phenol
PubChem CID145284154
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name3-(1-fluorooctan-4-yl)phenol
SMILESCCCCC(CCCF)c1cccc(O)c1
InChIInChI=1S/C14H21FO/c1-2-3-6-12(8-5-10-15)13-7-4-9-14(16)11-13/h4,7,9,11-12,16H,2-3,5-6,8,10H2,1H3
InChIKeyANBSFBXZWJRDCN-UHFFFAOYSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-octan-4-ylphenol
CID 54137408
3-(1-aminoheptan-4-yl)phenol
CID 83930253
3-pentadecan-2-ylphenol
CID 57199867
(3-octan-4-ylphenyl)methanamine
CID 142098371
(3S)-3-(3-hydroxyphenyl)-2-methylheptanoic acid
CID 67428563
3-(3-hydroxyphenyl)-2-methylheptanoic acid
CID 77290397
10-phenyltetradecan-5-ylbenzene
CID 22891787
3-(dibutoxymethyl)phenol
CID 71333002
3-[1-(1-phenylpentylamino)ethyl]phenol
CID 43791599
1-(difluoromethoxy)-3-octan-4-ylbenzene
CID 143471729
3-[(3S,4R)-4-(3-hydroxyphenyl)hexan-3-yl]phenol
CID 6917687
3-dodecan-5-ylbenzenesulfonic acid
CID 57286794

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluorooctan-4-yl)phenol?
The IUPAC name of 3-(1-fluorooctan-4-yl)phenol (CID 145284154) is 3-(1-fluorooctan-4-yl)phenol.
What is the SMILES notation for 3-(1-fluorooctan-4-yl)phenol?
The canonical SMILES for 3-(1-fluorooctan-4-yl)phenol is CCCCC(CCCF)c1cccc(O)c1.
What is the InChIKey of 3-(1-fluorooctan-4-yl)phenol?
The InChIKey is ANBSFBXZWJRDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO/c1-2-3-6-12(8-5-10-15)13-7-4-9-14(16)11-13/h4,7,9,11-12,16H,2-3,5-6,8,10H2,1H3.
What are the key properties of 3-(1-fluorooctan-4-yl)phenol?
3-(1-fluorooctan-4-yl)phenol has a molecular weight of 224.32 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluorooctan-4-yl)phenol is sourced from PubChem (CID 145284154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).