3-fluoro-2-propan-2-yl-4,5-dipropylphenol

C15H23FO — CID 176695979

IUPAC3-fluoro-2-propan-2-yl-4,5-dipropylphenol
SMILESCCCc1cc(O)c(C(C)C)c(F)c1CCC
InChIInChI=1S/C15H23FO/c1-5-7-11-9-13(17)14(10(3)4)15(16)12(11)8-6-2/h9-10,17H,5-8H2,1-4H3
InChIKeySEVIENADHCRBGK-UHFFFAOYSA-N
MW238.35 g/mol
LogP4.56
Rot. Bonds5

About 3-fluoro-2-propan-2-yl-4,5-dipropylphenol

3-fluoro-2-propan-2-yl-4,5-dipropylphenol (PubChem CID 176695979) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is 3-fluoro-2-propan-2-yl-4,5-dipropylphenol.

Molecular Properties

Compound Name3-fluoro-2-propan-2-yl-4,5-dipropylphenol
PubChem CID176695979
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Name3-fluoro-2-propan-2-yl-4,5-dipropylphenol
SMILESCCCc1cc(O)c(C(C)C)c(F)c1CCC
InChIInChI=1S/C15H23FO/c1-5-7-11-9-13(17)14(10(3)4)15(16)12(11)8-6-2/h9-10,17H,5-8H2,1-4H3
InChIKeySEVIENADHCRBGK-UHFFFAOYSA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-dipropylbenzene-1,3-diol
CID 70496109
2-ethyl-3-methyl-4,5-dipropylphenol
CID 139832159
4-methyl-3-propan-2-yl-2-propylphenol
CID 143280508
(2,3-difluoro-6-hydroxy-4-propylphenyl)boronic acid
CID 141479444
5-fluoro-4-hydroxy-2-propylbenzaldehyde
CID 176998466
2,3-difluoro-4-propylphenol
CID 14495704
2,4-bis(hydroxymethyl)-5-propylphenol
CID 20528682
bis(4-hydroxy-2-propan-2-yl-3-propylphenyl)methanone
CID 54305592
ethane;5-fluoro-2-propylphenol
CID 143012210
1,2,3-tripropyl-5-[2-(3,4,5-tripropylphenyl)ethyl]benzene
CID 101311555
2-propylbenzene-1,3,5-triol
CID 13411724
1,2,4,5-tetrafluoro-3-propylbenzene
CID 12944004

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-propan-2-yl-4,5-dipropylphenol?
The IUPAC name of 3-fluoro-2-propan-2-yl-4,5-dipropylphenol (CID 176695979) is 3-fluoro-2-propan-2-yl-4,5-dipropylphenol.
What is the SMILES notation for 3-fluoro-2-propan-2-yl-4,5-dipropylphenol?
The canonical SMILES for 3-fluoro-2-propan-2-yl-4,5-dipropylphenol is CCCc1cc(O)c(C(C)C)c(F)c1CCC.
What is the InChIKey of 3-fluoro-2-propan-2-yl-4,5-dipropylphenol?
The InChIKey is SEVIENADHCRBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO/c1-5-7-11-9-13(17)14(10(3)4)15(16)12(11)8-6-2/h9-10,17H,5-8H2,1-4H3.
What are the key properties of 3-fluoro-2-propan-2-yl-4,5-dipropylphenol?
3-fluoro-2-propan-2-yl-4,5-dipropylphenol has a molecular weight of 238.35 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-propan-2-yl-4,5-dipropylphenol is sourced from PubChem (CID 176695979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).