(3,4-diethoxyphenyl)-naphthalen-2-ylmethanone

C21H20O3 — CID 57395534

IUPAC(3,4-diethoxyphenyl)-naphthalen-2-ylmethanone
SMILESCCOc1ccc(C(=O)c2ccc3ccccc3c2)cc1OCC
InChIInChI=1S/C21H20O3/c1-3-23-19-12-11-18(14-20(19)24-4-2)21(22)17-10-9-15-7-5-6-8-16(15)13-17/h5-14H,3-4H2,1-2H3
InChIKeyRVTOPRDKBOHSBC-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.87
Rot. Bonds6

About (3,4-diethoxyphenyl)-naphthalen-2-ylmethanone

(3,4-diethoxyphenyl)-naphthalen-2-ylmethanone (PubChem CID 57395534) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-naphthalen-2-ylmethanone
PubChem CID57395534
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name(3,4-diethoxyphenyl)-naphthalen-2-ylmethanone
SMILESCCOc1ccc(C(=O)c2ccc3ccccc3c2)cc1OCC
InChIInChI=1S/C21H20O3/c1-3-23-19-12-11-18(14-20(19)24-4-2)21(22)17-10-9-15-7-5-6-8-16(15)13-17/h5-14H,3-4H2,1-2H3
InChIKeyRVTOPRDKBOHSBC-UHFFFAOYSA-N
XLogP4.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-naphthalen-2-ylmethanone?
The IUPAC name of (3,4-diethoxyphenyl)-naphthalen-2-ylmethanone (CID 57395534) is (3,4-diethoxyphenyl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (3,4-diethoxyphenyl)-naphthalen-2-ylmethanone?
The canonical SMILES for (3,4-diethoxyphenyl)-naphthalen-2-ylmethanone is CCOc1ccc(C(=O)c2ccc3ccccc3c2)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-naphthalen-2-ylmethanone?
The InChIKey is RVTOPRDKBOHSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c1-3-23-19-12-11-18(14-20(19)24-4-2)21(22)17-10-9-15-7-5-6-8-16(15)13-17/h5-14H,3-4H2,1-2H3.
What are the key properties of (3,4-diethoxyphenyl)-naphthalen-2-ylmethanone?
(3,4-diethoxyphenyl)-naphthalen-2-ylmethanone has a molecular weight of 320.39 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 57395534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).