4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene

C15H23FO — CID 83935474

IUPAC4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene
SMILESCCOc1ccc(C(C)(C)C)cc1CCCF
InChIInChI=1S/C15H23FO/c1-5-17-14-9-8-13(15(2,3)4)11-12(14)7-6-10-16/h8-9,11H,5-7,10H2,1-4H3
InChIKeyKSWFKHAIYQPNGC-UHFFFAOYSA-N
MW238.35 g/mol
LogP4.28
Rot. Bonds5

About 4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene

4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene (PubChem CID 83935474) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is 4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene.

Molecular Properties

Compound Name4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene
PubChem CID83935474
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Name4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene
SMILESCCOc1ccc(C(C)(C)C)cc1CCCF
InChIInChI=1S/C15H23FO/c1-5-17-14-9-8-13(15(2,3)4)11-12(14)7-6-10-16/h8-9,11H,5-7,10H2,1-4H3
InChIKeyKSWFKHAIYQPNGC-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine
CID 83935499
1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride
CID 170893780
ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate
CID 82553794
6-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylhexan-3-amine
CID 83921161
4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine
CID 93185561
1-chloro-4-ethoxy-5-(3-fluoropropyl)-2-methylbenzene
CID 83937619
2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene
CID 83921215
5-tert-butyl-2-ethoxy-N-methylaniline
CID 82264357
4-[2-ethoxy-5-(trifluoromethyl)phenyl]butane-1,2-diol
CID 83921247
2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840
4-(5-bromo-2-ethoxyphenyl)butan-1-amine
CID 65305852
5-(5-tert-butyl-2-methoxyphenyl)-N-ethylpentan-1-amine
CID 70956835

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene?
The IUPAC name of 4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene (CID 83935474) is 4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene.
What is the SMILES notation for 4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene?
The canonical SMILES for 4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene is CCOc1ccc(C(C)(C)C)cc1CCCF.
What is the InChIKey of 4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene?
The InChIKey is KSWFKHAIYQPNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO/c1-5-17-14-9-8-13(15(2,3)4)11-12(14)7-6-10-16/h8-9,11H,5-7,10H2,1-4H3.
What are the key properties of 4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene?
4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene has a molecular weight of 238.35 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene is sourced from PubChem (CID 83935474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).