4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene

C17H17BrO2 — CID 104768526

IUPAC4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
SMILESCc1ccc(OCC2CCOc3ccccc32)c(Br)c1
InChIInChI=1S/C17H17BrO2/c1-12-6-7-17(15(18)10-12)20-11-13-8-9-19-16-5-3-2-4-14(13)16/h2-7,10,13H,8-9,11H2,1H3
InChIKeyZTDORZDIDJGEHF-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.70
Rot. Bonds3

About 4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene

4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene (PubChem CID 104768526) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
PubChem CID104768526
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
SMILESCc1ccc(OCC2CCOc3ccccc32)c(Br)c1
InChIInChI=1S/C17H17BrO2/c1-12-6-7-17(15(18)10-12)20-11-13-8-9-19-16-5-3-2-4-14(13)16/h2-7,10,13H,8-9,11H2,1H3
InChIKeyZTDORZDIDJGEHF-UHFFFAOYSA-N
XLogP4.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol
CID 104768732
2-(2-bromo-4-methylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18196743
4-[(5-bromo-2-chlorophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104768530
5-bromo-2-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline
CID 104768072
4-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768778
7-[(2-bromo-4-methylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 66419117
4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 103432382
2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenol
CID 104768812
4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771996
4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 113451150
2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic acid
CID 79218339
(1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine
CID 104768135

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene (CID 104768526) is 4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene is Cc1ccc(OCC2CCOc3ccccc32)c(Br)c1.
What is the InChIKey of 4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene?
The InChIKey is ZTDORZDIDJGEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-12-6-7-17(15(18)10-12)20-11-13-8-9-19-16-5-3-2-4-14(13)16/h2-7,10,13H,8-9,11H2,1H3.
What are the key properties of 4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene?
4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene has a molecular weight of 333.23 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 104768526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).