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

C11H12O2 — CID 4136021

IUPAC8-methoxy-3,4-dihydro-1H-naphthalen-2-one
SMILESCOc1cccc2c1CC(=O)CC2
InChIInChI=1S/C11H12O2/c1-13-11-4-2-3-8-5-6-9(12)7-10(8)11/h2-4H,5-7H2,1H3
InChIKeyBTYBORAHYUCUMH-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.75
Rot. Bonds1

About 8-methoxy-3,4-dihydro-1H-naphthalen-2-one

8-methoxy-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 4136021) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 8-methoxy-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name8-methoxy-3,4-dihydro-1H-naphthalen-2-one
PubChem CID4136021
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name8-methoxy-3,4-dihydro-1H-naphthalen-2-one
SMILESCOc1cccc2c1CC(=O)CC2
InChIInChI=1S/C11H12O2/c1-13-11-4-2-3-8-5-6-9(12)7-10(8)11/h2-4H,5-7H2,1H3
InChIKeyBTYBORAHYUCUMH-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

butanoyl butanoate;8-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 158993814
8-(methoxymethoxy)-3,4-dihydro-1H-naphthalen-2-one
CID 158378685
1,8-dimethoxy-9,10-dihydroanthracene
CID 12651974
12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one
CID 141002477
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 177395557
(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 67639312
8-(phosphanylamino)-3,4-dihydro-1H-naphthalen-2-one
CID 166937900
methyl 8-methoxy-1,4-dihydronaphthalene-2-carboxylate
CID 10751295
2-methoxybicyclo[4.1.0]hepta-1(6),2,4-triene;1-methoxypropane
CID 126566779
4-methoxy-1-methyl-3H-indol-2-one
CID 12713031
2-(8-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetic acid
CID 83757667

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 8-methoxy-3,4-dihydro-1H-naphthalen-2-one (CID 4136021) is 8-methoxy-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 8-methoxy-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 8-methoxy-3,4-dihydro-1H-naphthalen-2-one is COc1cccc2c1CC(=O)CC2.
What is the InChIKey of 8-methoxy-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is BTYBORAHYUCUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-13-11-4-2-3-8-5-6-9(12)7-10(8)11/h2-4H,5-7H2,1H3.
What are the key properties of 8-methoxy-3,4-dihydro-1H-naphthalen-2-one?
8-methoxy-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 4136021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).