propan-2-yl 2-(4-propoxynaphthalen-1-yl)acetate

C18H22O3 — CID 82553526

IUPACpropan-2-yl 2-(4-propoxynaphthalen-1-yl)acetate
SMILESCCCOc1ccc(CC(=O)OC(C)C)c2ccccc12
InChIInChI=1S/C18H22O3/c1-4-11-20-17-10-9-14(12-18(19)21-13(2)3)15-7-5-6-8-16(15)17/h5-10,13H,4,11-12H2,1-3H3
InChIKeyQKNDDBOMOWEQID-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.12
Rot. Bonds6

About propan-2-yl 2-(4-propoxynaphthalen-1-yl)acetate

propan-2-yl 2-(4-propoxynaphthalen-1-yl)acetate (PubChem CID 82553526) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is propan-2-yl 2-(4-propoxynaphthalen-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-propoxynaphthalen-1-yl)acetate
PubChem CID82553526
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Namepropan-2-yl 2-(4-propoxynaphthalen-1-yl)acetate
SMILESCCCOc1ccc(CC(=O)OC(C)C)c2ccccc12
InChIInChI=1S/C18H22O3/c1-4-11-20-17-10-9-14(12-18(19)21-13(2)3)15-7-5-6-8-16(15)17/h5-10,13H,4,11-12H2,1-3H3
InChIKeyQKNDDBOMOWEQID-UHFFFAOYSA-N
XLogP4.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate
CID 82551406
methyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate
CID 82550297
N,N'-bis[(4-propoxynaphthalen-1-yl)methyl]hexane-1,6-diamine;methanesulfonic acid
CID 44531924
1-(bromomethyl)-4-dodecoxynaphthalene
CID 57081805
propan-2-yl 3,4-dipropoxybenzoate
CID 82550237
1,4-dibutoxynaphthalene
CID 22016411
propan-2-yl 2-(2-sulfanylphenyl)acetate
CID 67682935
1-ethyl-4-(3-fluoropropoxy)naphthalene
CID 172595334
propan-2-yl (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 102534792
1-ethyl-2-propoxynaphthalene
CID 129259410
(E)-4-oxo-4-(4-propoxynaphthalen-1-yl)but-2-enoic acid
CID 82264718
propan-2-yl 5-phenoxy-2-propoxybenzoate
CID 82552129

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-propoxynaphthalen-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(4-propoxynaphthalen-1-yl)acetate (CID 82553526) is propan-2-yl 2-(4-propoxynaphthalen-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(4-propoxynaphthalen-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(4-propoxynaphthalen-1-yl)acetate is CCCOc1ccc(CC(=O)OC(C)C)c2ccccc12.
What is the InChIKey of propan-2-yl 2-(4-propoxynaphthalen-1-yl)acetate?
The InChIKey is QKNDDBOMOWEQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-4-11-20-17-10-9-14(12-18(19)21-13(2)3)15-7-5-6-8-16(15)17/h5-10,13H,4,11-12H2,1-3H3.
What are the key properties of propan-2-yl 2-(4-propoxynaphthalen-1-yl)acetate?
propan-2-yl 2-(4-propoxynaphthalen-1-yl)acetate has a molecular weight of 286.37 g/mol, XLogP of 4.12, 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-(4-propoxynaphthalen-1-yl)acetate is sourced from PubChem (CID 82553526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).