ethane;5-fluoro-2-propylphenol

C11H17FO — CID 143012210

IUPACethane;5-fluoro-2-propylphenol
SMILESCC.CCCc1ccc(F)cc1O
InChIInChI=1S/C9H11FO.C2H6/c1-2-3-7-4-5-8(10)6-9(7)11;1-2/h4-6,11H,2-3H2,1H3;1-2H3
InChIKeyMCKNKRCSTDWSDX-UHFFFAOYSA-N
MW184.25 g/mol
LogP3.51
Rot. Bonds2

About ethane;5-fluoro-2-propylphenol

ethane;5-fluoro-2-propylphenol (PubChem CID 143012210) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is ethane;5-fluoro-2-propylphenol.

Molecular Properties

Compound Nameethane;5-fluoro-2-propylphenol
PubChem CID143012210
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Nameethane;5-fluoro-2-propylphenol
SMILESCC.CCCc1ccc(F)cc1O
InChIInChI=1S/C9H11FO.C2H6/c1-2-3-7-4-5-8(10)6-9(7)11;1-2/h4-6,11H,2-3H2,1H3;1-2H3
InChIKeyMCKNKRCSTDWSDX-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluoro-2-hydroxyphenyl)propanal
CID 117276586
2-[3-(dimethylamino)propyl]-5-fluorophenol
CID 170865708
4-(4-fluorophenyl)-2-propylphenol
CID 22458869
2,3-difluoro-4-propylphenol
CID 14495704
4,6-dipropylbenzene-1,3-diol
CID 70496109
5-methoxy-2-propylphenol
CID 12836519
5-fluoro-2-(methylaminomethyl)phenol
CID 82595579
4-fluoro-2-propylaniline
CID 23348947
4-fluoro-1-iodo-2-propylbenzene
CID 126738396
2-propyl-5-(trifluoromethylsulfanyl)phenol
CID 11322305
4-fluoro-2-pentan-3-yl-1-propylbenzene
CID 170087040
1-(5-fluoro-2-propylphenyl)prop-2-en-1-ol
CID 176716078

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-2-propylphenol?
The IUPAC name of ethane;5-fluoro-2-propylphenol (CID 143012210) is ethane;5-fluoro-2-propylphenol.
What is the SMILES notation for ethane;5-fluoro-2-propylphenol?
The canonical SMILES for ethane;5-fluoro-2-propylphenol is CC.CCCc1ccc(F)cc1O.
What is the InChIKey of ethane;5-fluoro-2-propylphenol?
The InChIKey is MCKNKRCSTDWSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO.C2H6/c1-2-3-7-4-5-8(10)6-9(7)11;1-2/h4-6,11H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;5-fluoro-2-propylphenol?
ethane;5-fluoro-2-propylphenol has a molecular weight of 184.25 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-2-propylphenol is sourced from PubChem (CID 143012210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).