(4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

C19H20O2 — CID 63410560

IUPAC(4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESCCOc1ccc(C(=O)C2CCCc3ccccc32)cc1
InChIInChI=1S/C19H20O2/c1-2-21-16-12-10-15(11-13-16)19(20)18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18H,2,5,7,9H2,1H3
InChIKeyZPUNAFDBAKAGHU-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.39
Rot. Bonds4

About (4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

(4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (PubChem CID 63410560) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
PubChem CID63410560
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESCCOc1ccc(C(=O)C2CCCc3ccccc32)cc1
InChIInChI=1S/C19H20O2/c1-2-21-16-12-10-15(11-13-16)19(20)18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18H,2,5,7,9H2,1H3
InChIKeyZPUNAFDBAKAGHU-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 63410298
4-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46578689
2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone
CID 12045348
4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 7973970
(4-ethoxyphenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598113
pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 55111214
ethyl (5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylate
CID 124678849
2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methanone
CID 65408196
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(4-ethoxyphenoxy)acetate
CID 7605781
N'-[2-(2-ethoxyphenoxy)acetyl]-1,2,3,4-tetrahydronaphthalene-1-carbohydrazide
CID 42946784
1,2,3,4-tetrahydronaphthalene-1-carbonyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 87137453
(4-ethoxyphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171946948

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The IUPAC name of (4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (CID 63410560) is (4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.
What is the SMILES notation for (4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The canonical SMILES for (4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is CCOc1ccc(C(=O)C2CCCc3ccccc32)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The InChIKey is ZPUNAFDBAKAGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-2-21-16-12-10-15(11-13-16)19(20)18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18H,2,5,7,9H2,1H3.
What are the key properties of (4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
(4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is sourced from PubChem (CID 63410560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).