1-naphthalen-2-ylethyl pentanoate

C17H20O2 — CID 46886522

IUPAC1-naphthalen-2-ylethyl pentanoate
SMILESCCCCC(=O)OC(C)c1ccc2ccccc2c1
InChIInChI=1S/C17H20O2/c1-3-4-9-17(18)19-13(2)15-11-10-14-7-5-6-8-16(14)12-15/h5-8,10-13H,3-4,9H2,1-2H3
InChIKeyGYZBXNRTPOJMPO-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.63
Rot. Bonds5

About 1-naphthalen-2-ylethyl pentanoate

1-naphthalen-2-ylethyl pentanoate (PubChem CID 46886522) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-naphthalen-2-ylethyl pentanoate.

Molecular Properties

Compound Name1-naphthalen-2-ylethyl pentanoate
PubChem CID46886522
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name1-naphthalen-2-ylethyl pentanoate
SMILESCCCCC(=O)OC(C)c1ccc2ccccc2c1
InChIInChI=1S/C17H20O2/c1-3-4-9-17(18)19-13(2)15-11-10-14-7-5-6-8-16(14)12-15/h5-8,10-13H,3-4,9H2,1-2H3
InChIKeyGYZBXNRTPOJMPO-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-phenylmethoxyphenyl)ethyl pentanoate
CID 67493531
1-[4-[2-(4-butoxyphenyl)phenyl]phenyl]ethyl pentanoate
CID 139693520
[(1R)-1-naphthalen-2-ylethyl] 3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoate
CID 97196762
[(1S)-1-naphthalen-2-ylethyl] benzoate
CID 10683869
[(1R)-1-(4-fluorophenyl)ethyl] hexanoate
CID 132573494
1-[4-(2-phenylphenyl)phenyl]ethyl undecanoate
CID 139693617
1-[4-(4-nonoxyphenyl)phenyl]ethyl pentanoate
CID 139693790
1-(4-phenylmethoxyphenyl)ethyl pentacosanoate
CID 23032602
N-(1-naphthalen-2-ylethyl)hexanamide
CID 112762295
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
methane;1-phenylethyl butanoate
CID 175131064
1-[4-[2-(4-ethoxyphenyl)phenyl]phenyl]ethyl tetradecanoate
CID 139693656

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylethyl pentanoate?
The IUPAC name of 1-naphthalen-2-ylethyl pentanoate (CID 46886522) is 1-naphthalen-2-ylethyl pentanoate.
What is the SMILES notation for 1-naphthalen-2-ylethyl pentanoate?
The canonical SMILES for 1-naphthalen-2-ylethyl pentanoate is CCCCC(=O)OC(C)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-ylethyl pentanoate?
The InChIKey is GYZBXNRTPOJMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-3-4-9-17(18)19-13(2)15-11-10-14-7-5-6-8-16(14)12-15/h5-8,10-13H,3-4,9H2,1-2H3.
What are the key properties of 1-naphthalen-2-ylethyl pentanoate?
1-naphthalen-2-ylethyl pentanoate has a molecular weight of 256.34 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylethyl pentanoate is sourced from PubChem (CID 46886522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).