[(1S)-1-naphthalen-2-ylethyl] benzoate

C19H16O2 — CID 10683869

IUPAC[(1S)-1-naphthalen-2-ylethyl] benzoate
SMILESC[C@H](OC(=O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H16O2/c1-14(21-19(20)16-8-3-2-4-9-16)17-12-11-15-7-5-6-10-18(15)13-17/h2-14H,1H3/t14-/m0/s1
InChIKeyJRMKGGLRAWAZJV-AWEZNQCLSA-N
MW276.33 g/mol
LogP4.76
Rot. Bonds3

About [(1S)-1-naphthalen-2-ylethyl] benzoate

[(1S)-1-naphthalen-2-ylethyl] benzoate (PubChem CID 10683869) has the molecular formula C19H16O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is [(1S)-1-naphthalen-2-ylethyl] benzoate.

Molecular Properties

Compound Name[(1S)-1-naphthalen-2-ylethyl] benzoate
PubChem CID10683869
Molecular FormulaC19H16O2
Molecular Weight276.33 g/mol
Exact Mass276.12
IUPAC Name[(1S)-1-naphthalen-2-ylethyl] benzoate
SMILESC[C@H](OC(=O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H16O2/c1-14(21-19(20)16-8-3-2-4-9-16)17-12-11-15-7-5-6-10-18(15)13-17/h2-14H,1H3/t14-/m0/s1
InChIKeyJRMKGGLRAWAZJV-AWEZNQCLSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenylethyl naphthalene-2-carboxylate
CID 13356574
1-phenylethyl benzoate
CID 174857426
1-(3-bromophenyl)ethyl benzoate
CID 141056018
[(1R)-1-phenylethyl] 6-hydroxynaphthalene-2-carboxylate
CID 20724517
1-naphthalen-2-ylethyl pentanoate
CID 46886522
[(1S)-1-phenylethyl] 4-[4-[4-[(1S)-1-phenylethoxy]carbonylphenyl]phenyl]benzoate
CID 67736899
4-[(1S)-1-phenylethoxy]carbonylbenzoic acid
CID 139796001
3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 12012921
(2,2-dichloro-1-naphthalen-2-yl-2-nitroethyl) benzoate
CID 132518875
[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl] 3,5-dichlorobenzoate
CID 14895430
1-benzoylperoxypropan-2-yl benzoate
CID 175513779
[(1R)-1-naphthalen-2-ylethyl]azanium benzoate
CID 139198203

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-naphthalen-2-ylethyl] benzoate?
The IUPAC name of [(1S)-1-naphthalen-2-ylethyl] benzoate (CID 10683869) is [(1S)-1-naphthalen-2-ylethyl] benzoate.
What is the SMILES notation for [(1S)-1-naphthalen-2-ylethyl] benzoate?
The canonical SMILES for [(1S)-1-naphthalen-2-ylethyl] benzoate is C[C@H](OC(=O)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of [(1S)-1-naphthalen-2-ylethyl] benzoate?
The InChIKey is JRMKGGLRAWAZJV-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H16O2/c1-14(21-19(20)16-8-3-2-4-9-16)17-12-11-15-7-5-6-10-18(15)13-17/h2-14H,1H3/t14-/m0/s1.
What are the key properties of [(1S)-1-naphthalen-2-ylethyl] benzoate?
[(1S)-1-naphthalen-2-ylethyl] benzoate has a molecular weight of 276.33 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-naphthalen-2-ylethyl] benzoate is sourced from PubChem (CID 10683869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).