5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

C17H15BrO2 — CID 65456345

IUPAC5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(OCc3ccccc3Br)cccc21
InChIInChI=1S/C17H15BrO2/c18-15-8-2-1-5-12(15)11-20-17-10-4-6-13-14(17)7-3-9-16(13)19/h1-2,4-6,8,10H,3,7,9,11H2
InChIKeyUISQLJCWPBKYFA-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.55
Rot. Bonds3

About 5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 65456345) has the molecular formula C17H15BrO2 and a molecular weight of 331.21 g/mol. Its IUPAC name is 5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID65456345
Molecular FormulaC17H15BrO2
Molecular Weight331.21 g/mol
Exact Mass330.03
IUPAC Name5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(OCc3ccccc3Br)cccc21
InChIInChI=1S/C17H15BrO2/c18-15-8-2-1-5-12(15)11-20-17-10-4-6-13-14(17)7-3-9-16(13)19/h1-2,4-6,8,10H,3,7,9,11H2
InChIKeyUISQLJCWPBKYFA-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-bromo-5-iodophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 134269995
5-[(2-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 115982930
5-[(5-hydroxy-2-methylphenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 123450059
5-(2-sulfanylethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 142914123
5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455954
5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60711761
5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65456156
5-[[(2S)-oxiran-2-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 22854106
5-(cyclohexylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455572
4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one
CID 104792196
5-(3-methylsulfanylpropoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 115651095
5-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456121

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 65456345) is 5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2c(OCc3ccccc3Br)cccc21.
What is the InChIKey of 5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is UISQLJCWPBKYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO2/c18-15-8-2-1-5-12(15)11-20-17-10-4-6-13-14(17)7-3-9-16(13)19/h1-2,4-6,8,10H,3,7,9,11H2.
What are the key properties of 5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 331.21 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 65456345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).