3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol

C12H17FO — CID 117286425

IUPAC3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccc(F)c(CCCO)c1
InChIInChI=1S/C12H17FO/c1-9(2)10-5-6-12(13)11(8-10)4-3-7-14/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKeyXEMAJTYHODZVIB-UHFFFAOYSA-N
MW196.26 g/mol
LogP2.87
Rot. Bonds4

About 3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol

3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol (PubChem CID 117286425) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is 3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol
PubChem CID117286425
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccc(F)c(CCCO)c1
InChIInChI=1S/C12H17FO/c1-9(2)10-5-6-12(13)11(8-10)4-3-7-14/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKeyXEMAJTYHODZVIB-UHFFFAOYSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis[2-(3-hydroxypropyl)-4-propan-2-ylphenyl]methanone
CID 67578921
1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine
CID 117285738
2-(2,2-dimethylpropyl)-1-fluoro-4-propan-2-ylbenzene;1-fluoro-2-(3-methylbutyl)-4-propan-2-ylbenzene
CID 158638695
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
methyl 2-(3-butyl-4-fluorophenyl)propanoate
CID 71167855
3-(2,5-difluoro-4-methylphenyl)propan-1-ol
CID 117280446
3-(4-chloro-2-fluorophenyl)propan-1-ol
CID 53425229
3-(2,4-difluoro-3-methylphenyl)propan-1-ol
CID 66733705
4-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 96657410
3-(2,6-difluoro-3-propan-2-ylphenyl)propan-1-ol
CID 117305527
3-[2-chloro-4-(difluoromethyl)phenyl]propan-1-ol
CID 117315030
1-(2-fluoro-4-propan-2-ylphenyl)ethanamine
CID 131378718

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol (CID 117286425) is 3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol is CC(C)c1ccc(F)c(CCCO)c1.
What is the InChIKey of 3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol?
The InChIKey is XEMAJTYHODZVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-9(2)10-5-6-12(13)11(8-10)4-3-7-14/h5-6,8-9,14H,3-4,7H2,1-2H3.
What are the key properties of 3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol?
3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol has a molecular weight of 196.26 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 117286425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).