6-bromo-7-methoxy-3,4-dihydro-1H-naphthalen-2-one

C11H11BrO2 — CID 77230927

IUPAC6-bromo-7-methoxy-3,4-dihydro-1H-naphthalen-2-one
SMILESCOc1cc2c(cc1Br)CCC(=O)C2
InChIInChI=1S/C11H11BrO2/c1-14-11-6-8-4-9(13)3-2-7(8)5-10(11)12/h5-6H,2-4H2,1H3
InChIKeyBCSFZJBOXGPAPB-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.52
Rot. Bonds1

About 6-bromo-7-methoxy-3,4-dihydro-1H-naphthalen-2-one

6-bromo-7-methoxy-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 77230927) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 6-bromo-7-methoxy-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name6-bromo-7-methoxy-3,4-dihydro-1H-naphthalen-2-one
PubChem CID77230927
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name6-bromo-7-methoxy-3,4-dihydro-1H-naphthalen-2-one
SMILESCOc1cc2c(cc1Br)CCC(=O)C2
InChIInChI=1S/C11H11BrO2/c1-14-11-6-8-4-9(13)3-2-7(8)5-10(11)12/h5-6H,2-4H2,1H3
InChIKeyBCSFZJBOXGPAPB-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one
CID 131399948
5,11-dibromo-13,15-dimethoxytricyclo[8.2.2.24,7]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaene
CID 129117919
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 158702341
7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 82279765
(7-bromo-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanol
CID 91457483
6,22-dibromo-5,23-dimethoxy-14-oxahexacyclo[15.8.0.02,11.03,8.012,16.020,25]pentacosa-1(17),2(11),3,5,7,12(16),20,22,24-nonaene-13,15-dione
CID 102236749
2,5-dibromo-4,7-dimethoxycyclohepta-2,4,6-trien-1-one
CID 14266950
1-(4-bromo-2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 15154182
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
1-(2,4-dibromo-5-methoxyphenyl)piperidin-4-one
CID 103414426
5,6-dimethoxy-3,8-dihydrocyclobuta[b]naphthalene-1,2-dione
CID 10752785
8-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 4136021

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methoxy-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 6-bromo-7-methoxy-3,4-dihydro-1H-naphthalen-2-one (CID 77230927) is 6-bromo-7-methoxy-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 6-bromo-7-methoxy-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 6-bromo-7-methoxy-3,4-dihydro-1H-naphthalen-2-one is COc1cc2c(cc1Br)CCC(=O)C2.
What is the InChIKey of 6-bromo-7-methoxy-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is BCSFZJBOXGPAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c1-14-11-6-8-4-9(13)3-2-7(8)5-10(11)12/h5-6H,2-4H2,1H3.
What are the key properties of 6-bromo-7-methoxy-3,4-dihydro-1H-naphthalen-2-one?
6-bromo-7-methoxy-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 255.11 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methoxy-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 77230927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).