2-[(2-ethylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one

C20H22O2 — CID 46945450

IUPAC2-[(2-ethylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCCc1ccccc1CC1CCc2cc(OC)ccc2C1=O
InChIInChI=1S/C20H22O2/c1-3-14-6-4-5-7-15(14)12-17-9-8-16-13-18(22-2)10-11-19(16)20(17)21/h4-7,10-11,13,17H,3,8-9,12H2,1-2H3
InChIKeyKIPPVJIXXVROQE-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.25
Rot. Bonds4

About 2-[(2-ethylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one

2-[(2-ethylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 46945450) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-[(2-ethylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID46945450
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name2-[(2-ethylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCCc1ccccc1CC1CCc2cc(OC)ccc2C1=O
InChIInChI=1S/C20H22O2/c1-3-14-6-4-5-7-15(14)12-17-9-8-16-13-18(22-2)10-11-19(16)20(17)21/h4-7,10-11,13,17H,3,8-9,12H2,1-2H3
InChIKeyKIPPVJIXXVROQE-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-[(2-ethylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one (CID 46945450) is 2-[(2-ethylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-[(2-ethylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-[(2-ethylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one is CCc1ccccc1CC1CCc2cc(OC)ccc2C1=O.
What is the InChIKey of 2-[(2-ethylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is KIPPVJIXXVROQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-3-14-6-4-5-7-15(14)12-17-9-8-16-13-18(22-2)10-11-19(16)20(17)21/h4-7,10-11,13,17H,3,8-9,12H2,1-2H3.
What are the key properties of 2-[(2-ethylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
2-[(2-ethylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 294.39 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 46945450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).