1-(2,4-difluoro-5-methylphenyl)-2-ethylhexan-1-ol

C15H22F2O — CID 79730496

IUPAC1-(2,4-difluoro-5-methylphenyl)-2-ethylhexan-1-ol
SMILESCCCCC(CC)C(O)c1cc(C)c(F)cc1F
InChIInChI=1S/C15H22F2O/c1-4-6-7-11(5-2)15(18)12-8-10(3)13(16)9-14(12)17/h8-9,11,15,18H,4-7H2,1-3H3
InChIKeyRVJHOXISKFHVHA-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.52
Rot. Bonds6

About 1-(2,4-difluoro-5-methylphenyl)-2-ethylhexan-1-ol

1-(2,4-difluoro-5-methylphenyl)-2-ethylhexan-1-ol (PubChem CID 79730496) has the molecular formula C15H22F2O and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-2-ethylhexan-1-ol.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-2-ethylhexan-1-ol
PubChem CID79730496
Molecular FormulaC15H22F2O
Molecular Weight256.34 g/mol
Exact Mass256.16
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-2-ethylhexan-1-ol
SMILESCCCCC(CC)C(O)c1cc(C)c(F)cc1F
InChIInChI=1S/C15H22F2O/c1-4-6-7-11(5-2)15(18)12-8-10(3)13(16)9-14(12)17/h8-9,11,15,18H,4-7H2,1-3H3
InChIKeyRVJHOXISKFHVHA-UHFFFAOYSA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 82759417
1-(2,4-difluoro-5-methylphenyl)pentylhydrazine
CID 105293823
1-(2,4-difluoro-5-methylphenyl)decan-1-amine
CID 79723933
1-(1-chloro-2-ethylhexyl)-2,4,5-trifluorobenzene
CID 103303768
1-(2,4-dichlorophenyl)-2-ethylhexan-1-ol
CID 55200196
1-(2,4,5-trifluorophenyl)pentan-1-ol
CID 19885905
1-(1-bromooctyl)-2,4-difluoro-5-methylbenzene
CID 79731208
1-(2,4-difluoro-5-methylphenyl)-3-methylhexan-1-ol
CID 115788963
(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 82759306
2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol
CID 115828563
1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine
CID 79724313
5,7-diethylundecan-6-ol
CID 89253066

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-2-ethylhexan-1-ol?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-2-ethylhexan-1-ol (CID 79730496) is 1-(2,4-difluoro-5-methylphenyl)-2-ethylhexan-1-ol.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-2-ethylhexan-1-ol?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-2-ethylhexan-1-ol is CCCCC(CC)C(O)c1cc(C)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-2-ethylhexan-1-ol?
The InChIKey is RVJHOXISKFHVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2O/c1-4-6-7-11(5-2)15(18)12-8-10(3)13(16)9-14(12)17/h8-9,11,15,18H,4-7H2,1-3H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-2-ethylhexan-1-ol?
1-(2,4-difluoro-5-methylphenyl)-2-ethylhexan-1-ol has a molecular weight of 256.34 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)-2-ethylhexan-1-ol is sourced from PubChem (CID 79730496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).