(3-bromo-2-methoxyphenyl)-naphthalen-2-ylmethanone

C18H13BrO2 — CID 19432000

IUPAC(3-bromo-2-methoxyphenyl)-naphthalen-2-ylmethanone
SMILESCOc1c(Br)cccc1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H13BrO2/c1-21-18-15(7-4-8-16(18)19)17(20)14-10-9-12-5-2-3-6-13(12)11-14/h2-11H,1H3
InChIKeyKCFSHNAWFIJQJN-UHFFFAOYSA-N
MW341.20 g/mol
LogP4.84
Rot. Bonds3

About (3-bromo-2-methoxyphenyl)-naphthalen-2-ylmethanone

(3-bromo-2-methoxyphenyl)-naphthalen-2-ylmethanone (PubChem CID 19432000) has the molecular formula C18H13BrO2 and a molecular weight of 341.20 g/mol. Its IUPAC name is (3-bromo-2-methoxyphenyl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(3-bromo-2-methoxyphenyl)-naphthalen-2-ylmethanone
PubChem CID19432000
Molecular FormulaC18H13BrO2
Molecular Weight341.20 g/mol
Exact Mass340.01
IUPAC Name(3-bromo-2-methoxyphenyl)-naphthalen-2-ylmethanone
SMILESCOc1c(Br)cccc1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H13BrO2/c1-21-18-15(7-4-8-16(18)19)17(20)14-10-9-12-5-2-3-6-13(12)11-14/h2-11H,1H3
InChIKeyKCFSHNAWFIJQJN-UHFFFAOYSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(2-bromobenzoyl)naphthalen-2-yl]-(2-bromophenyl)methanone
CID 139602741
[6-methoxy-5-[2-methoxy-6-(naphthalene-1-carbonyl)naphthalen-1-yl]naphthalen-2-yl]-naphthalen-1-ylmethanone
CID 101460356
(2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone
CID 114970378
dinaphthalen-2-ylmethanone
CID 10945915
(2-chlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491320
(3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone
CID 123555772
(2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone
CID 43339492
(3-bromo-4-methoxyphenyl)-isoquinolin-5-ylmethanone
CID 114971003
(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379600
(2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491327
1-(3-bromo-2-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 59544884
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methoxyphenyl)-naphthalen-2-ylmethanone?
The IUPAC name of (3-bromo-2-methoxyphenyl)-naphthalen-2-ylmethanone (CID 19432000) is (3-bromo-2-methoxyphenyl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (3-bromo-2-methoxyphenyl)-naphthalen-2-ylmethanone?
The canonical SMILES for (3-bromo-2-methoxyphenyl)-naphthalen-2-ylmethanone is COc1c(Br)cccc1C(=O)c1ccc2ccccc2c1.
What is the InChIKey of (3-bromo-2-methoxyphenyl)-naphthalen-2-ylmethanone?
The InChIKey is KCFSHNAWFIJQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrO2/c1-21-18-15(7-4-8-16(18)19)17(20)14-10-9-12-5-2-3-6-13(12)11-14/h2-11H,1H3.
What are the key properties of (3-bromo-2-methoxyphenyl)-naphthalen-2-ylmethanone?
(3-bromo-2-methoxyphenyl)-naphthalen-2-ylmethanone has a molecular weight of 341.20 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-methoxyphenyl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 19432000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).