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

C18H18O2 — CID 169410334

IUPAC6-(4-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCCOc1ccc(-c2ccc3c(c2)CCCC3=O)cc1
InChIInChI=1S/C18H18O2/c1-2-20-16-9-6-13(7-10-16)14-8-11-17-15(12-14)4-3-5-18(17)19/h6-12H,2-5H2,1H3
InChIKeyJPMZMLWQXPWSKA-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.27
Rot. Bonds3

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

6-(4-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 169410334) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID169410334
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name6-(4-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCCOc1ccc(-c2ccc3c(c2)CCCC3=O)cc1
InChIInChI=1S/C18H18O2/c1-2-20-16-9-6-13(7-10-16)14-8-11-17-15(12-14)4-3-5-18(17)19/h6-12H,2-5H2,1H3
InChIKeyJPMZMLWQXPWSKA-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

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Related Compounds

6-(3-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 169410330
6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65369803
5-(4-methoxyphenyl)-2,3-dihydroinden-1-one
CID 11149112
5-(ethoxymethoxy)-2,3-dihydroinden-1-one
CID 104986117
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71387522
6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 54129748
6-(4-ethylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one
CID 64748496
6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 54107064
6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 107508131
6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 62033294
6-hept-6-enoxy-3,4-dihydro-2H-naphthalen-1-one
CID 107007273

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-(4-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one (CID 169410334) is 6-(4-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-(4-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-(4-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one is CCOc1ccc(-c2ccc3c(c2)CCCC3=O)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is JPMZMLWQXPWSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-20-16-9-6-13(7-10-16)14-8-11-17-15(12-14)4-3-5-18(17)19/h6-12H,2-5H2,1H3.
What are the key properties of 6-(4-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one?
6-(4-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-(4-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 169410334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).