6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one

C18H18O2 — CID 169410330

IUPAC6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCCOc1cccc(-c2ccc3c(c2)CCCC3=O)c1
InChIInChI=1S/C18H18O2/c1-2-20-16-7-3-5-13(12-16)14-9-10-17-15(11-14)6-4-8-18(17)19/h3,5,7,9-12H,2,4,6,8H2,1H3
InChIKeyBCEJTZOAXKRBBL-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.27
Rot. Bonds3

About 6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one

6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 169410330) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID169410330
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCCOc1cccc(-c2ccc3c(c2)CCCC3=O)c1
InChIInChI=1S/C18H18O2/c1-2-20-16-7-3-5-13(12-16)14-9-10-17-15(11-14)6-4-8-18(17)19/h3,5,7,9-12H,2,4,6,8H2,1H3
InChIKeyBCEJTZOAXKRBBL-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one (CID 169410330) is 6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one is CCOc1cccc(-c2ccc3c(c2)CCCC3=O)c1.
What is the InChIKey of 6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is BCEJTZOAXKRBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-20-16-7-3-5-13(12-16)14-9-10-17-15(11-14)6-4-8-18(17)19/h3,5,7,9-12H,2,4,6,8H2,1H3.
What are the key properties of 6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one?
6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 266.34 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 169410330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).