2-(3,4-dihydronaphthalen-1-yl)propyl benzoate

C20H20O2 — CID 12045245

IUPAC2-(3,4-dihydronaphthalen-1-yl)propyl benzoate
SMILESCC(COC(=O)c1ccccc1)C1=CCCc2ccccc21
InChIInChI=1S/C20H20O2/c1-15(14-22-20(21)17-9-3-2-4-10-17)18-13-7-11-16-8-5-6-12-19(16)18/h2-6,8-10,12-13,15H,7,11,14H2,1H3
InChIKeyVWEJQRPMHBXZNG-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.51
Rot. Bonds4

About 2-(3,4-dihydronaphthalen-1-yl)propyl benzoate

2-(3,4-dihydronaphthalen-1-yl)propyl benzoate (PubChem CID 12045245) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(3,4-dihydronaphthalen-1-yl)propyl benzoate.

Molecular Properties

Compound Name2-(3,4-dihydronaphthalen-1-yl)propyl benzoate
PubChem CID12045245
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name2-(3,4-dihydronaphthalen-1-yl)propyl benzoate
SMILESCC(COC(=O)c1ccccc1)C1=CCCc2ccccc21
InChIInChI=1S/C20H20O2/c1-15(14-22-20(21)17-9-3-2-4-10-17)18-13-7-11-16-8-5-6-12-19(16)18/h2-6,8-10,12-13,15H,7,11,14H2,1H3
InChIKeyVWEJQRPMHBXZNG-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-phenylpropyl] benzoate
CID 101021839
(3-benzoyloxy-2-methylpropyl) benzoate;ethane-1,2-diol
CID 70529802
1-benzoyloxypropan-2-yl(trimethyl)azanium
CID 24833435
[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127
2-methylpropyl benzoate;2-methylpropyl 2-methylpropanoate
CID 174922501
(4-benzoyloxy-2,3-dihydroxybutyl) benzoate
CID 569984
2-(methylideneamino)propyl benzoate
CID 175865411
(2-hydroxy-2-propan-2-yloxyethyl) benzoate
CID 162371835
[(2S)-2-(ethylamino)propyl] benzoate
CID 90069288
4-methylheptyl benzoate
CID 163114376
(4,5-diacetyloxy-2-methylhexyl) benzoate
CID 71055928
2-(2-hydroxy-4-methylphenyl)propyl benzoate
CID 132501075

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydronaphthalen-1-yl)propyl benzoate?
The IUPAC name of 2-(3,4-dihydronaphthalen-1-yl)propyl benzoate (CID 12045245) is 2-(3,4-dihydronaphthalen-1-yl)propyl benzoate.
What is the SMILES notation for 2-(3,4-dihydronaphthalen-1-yl)propyl benzoate?
The canonical SMILES for 2-(3,4-dihydronaphthalen-1-yl)propyl benzoate is CC(COC(=O)c1ccccc1)C1=CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydronaphthalen-1-yl)propyl benzoate?
The InChIKey is VWEJQRPMHBXZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-15(14-22-20(21)17-9-3-2-4-10-17)18-13-7-11-16-8-5-6-12-19(16)18/h2-6,8-10,12-13,15H,7,11,14H2,1H3.
What are the key properties of 2-(3,4-dihydronaphthalen-1-yl)propyl benzoate?
2-(3,4-dihydronaphthalen-1-yl)propyl benzoate has a molecular weight of 292.38 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydronaphthalen-1-yl)propyl benzoate is sourced from PubChem (CID 12045245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).