6-methoxy-3,4-dihydro-2H-naphthalen-1-one

C11H12O2 — CID 14112

IUPAC6-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C11H12O2/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h5-7H,2-4H2,1H3
InChIKeyMNALUTYMBUBKNX-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.21
Rot. Bonds1

About 6-methoxy-3,4-dihydro-2H-naphthalen-1-one

6-methoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 14112) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-methoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-methoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID14112
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name6-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C11H12O2/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h5-7H,2-4H2,1H3
InChIKeyMNALUTYMBUBKNX-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one
CID 615098
6-[(4-methoxyphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 54107064
6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65369803
6-(4-aminophenoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 89318567
6-cyclohexyloxy-3,4-dihydro-2H-naphthalen-1-one
CID 21444523
(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) N-methylcarbamate
CID 12643036
6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 107508131
6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 54129748
5-(4-methoxyphenyl)-2,3-dihydroinden-1-one
CID 11149112
(5-oxo-7,8-dihydro-6H-naphthalen-2-yl) trifluoromethanesulfonate
CID 11098384
6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71387522
6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 62033294

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-methoxy-3,4-dihydro-2H-naphthalen-1-one (CID 14112) is 6-methoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-methoxy-3,4-dihydro-2H-naphthalen-1-one is COc1ccc2c(c1)CCCC2=O.
What is the InChIKey of 6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is MNALUTYMBUBKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h5-7H,2-4H2,1H3.
What are the key properties of 6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
6-methoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 176.22 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 14112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).