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

C18H17BrO2 — CID 46945265

IUPAC2-[(2-bromophenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1)CCC(Cc1ccccc1Br)C2=O
InChIInChI=1S/C18H17BrO2/c1-21-15-8-9-16-12(11-15)6-7-14(18(16)20)10-13-4-2-3-5-17(13)19/h2-5,8-9,11,14H,6-7,10H2,1H3
InChIKeyGKGZPFKBDIIBHB-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.45
Rot. Bonds3

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

2-[(2-bromophenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 46945265) has the molecular formula C18H17BrO2 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID46945265
Molecular FormulaC18H17BrO2
Molecular Weight345.24 g/mol
Exact Mass344.04
IUPAC Name2-[(2-bromophenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1)CCC(Cc1ccccc1Br)C2=O
InChIInChI=1S/C18H17BrO2/c1-21-15-8-9-16-12(11-15)6-7-14(18(16)20)10-13-4-2-3-5-17(13)19/h2-5,8-9,11,14H,6-7,10H2,1H3
InChIKeyGKGZPFKBDIIBHB-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-[(2-bromophenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one (CID 46945265) is 2-[(2-bromophenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one is COc1ccc2c(c1)CCC(Cc1ccccc1Br)C2=O.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is GKGZPFKBDIIBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrO2/c1-21-15-8-9-16-12(11-15)6-7-14(18(16)20)10-13-4-2-3-5-17(13)19/h2-5,8-9,11,14H,6-7,10H2,1H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
2-[(2-bromophenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 345.24 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 46945265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).