propan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate

C14H19FO3 — CID 82551406

IUPACpropan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate
SMILESCCCOc1ccc(F)cc1CC(=O)OC(C)C
InChIInChI=1S/C14H19FO3/c1-4-7-17-13-6-5-12(15)8-11(13)9-14(16)18-10(2)3/h5-6,8,10H,4,7,9H2,1-3H3
InChIKeyHYFWRXAXYMATJC-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.11
Rot. Bonds6

About propan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate

propan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate (PubChem CID 82551406) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is propan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate
PubChem CID82551406
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Namepropan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate
SMILESCCCOc1ccc(F)cc1CC(=O)OC(C)C
InChIInChI=1S/C14H19FO3/c1-4-7-17-13-6-5-12(15)8-11(13)9-14(16)18-10(2)3/h5-6,8,10H,4,7,9H2,1-3H3
InChIKeyHYFWRXAXYMATJC-UHFFFAOYSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-(4-propoxynaphthalen-1-yl)acetate
CID 82553526
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
propan-2-yl 2-(4-fluoro-2-hydroxyphenyl)acetate
CID 166658006
5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol
CID 83944238
1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol
CID 83944242
4-fluoro-2-(2-methylpent-3-ynyl)-1-propoxybenzene
CID 83944195
4-(5-fluoro-2-propoxyphenyl)-3-methylbutanethioamide
CID 83944175
1-(5-fluoro-2-propoxyphenyl)propan-1-one
CID 82268324
propan-2-yl 3,4-dipropoxybenzoate
CID 82550237
4-fluoro-1-methoxy-2-propoxybenzene
CID 126738516
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
propan-2-yl 2-(5-bromo-2-methoxyphenyl)acetate
CID 82550039

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate?
The IUPAC name of propan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate (CID 82551406) is propan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate.
What is the SMILES notation for propan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate?
The canonical SMILES for propan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate is CCCOc1ccc(F)cc1CC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate?
The InChIKey is HYFWRXAXYMATJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO3/c1-4-7-17-13-6-5-12(15)8-11(13)9-14(16)18-10(2)3/h5-6,8,10H,4,7,9H2,1-3H3.
What are the key properties of propan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate?
propan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate has a molecular weight of 254.30 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate is sourced from PubChem (CID 82551406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).