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

C17H17BrO2 — CID 61097211

IUPAC6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
SMILESCOc1ccccc1C(Br)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H17BrO2/c1-19-16-7-3-2-6-14(16)17(18)13-8-9-15-12(11-13)5-4-10-20-15/h2-3,6-9,11,17H,4-5,10H2,1H3
InChIKeySKXZYTGNPLHNDY-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.50
Rot. Bonds3

About 6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene

6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene (PubChem CID 61097211) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
PubChem CID61097211
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
SMILESCOc1ccccc1C(Br)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H17BrO2/c1-19-16-7-3-2-6-14(16)17(18)13-8-9-15-12(11-13)5-4-10-20-15/h2-3,6-9,11,17H,4-5,10H2,1H3
InChIKeySKXZYTGNPLHNDY-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 62920915
5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61097281
6-[bromo-(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439446
5-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 65433487
6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63444189
6-[chloro-(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435190
5-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 81284360
6-[bromo-(5-chloro-2-methylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 82891172
6-[(3-bromo-4-methoxyphenyl)-chloromethyl]-3,4-dihydro-2H-chromene
CID 63434925
6-[bromo-(3-iodophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63444280
3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol
CID 61080777
6-[1-(3-ethyl-4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene
CID 145129554

Frequently Asked Questions

What is the IUPAC name of 6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene (CID 61097211) is 6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene is COc1ccccc1C(Br)c1ccc2c(c1)CCCO2.
What is the InChIKey of 6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene?
The InChIKey is SKXZYTGNPLHNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-19-16-7-3-2-6-14(16)17(18)13-8-9-15-12(11-13)5-4-10-20-15/h2-3,6-9,11,17H,4-5,10H2,1H3.
What are the key properties of 6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene?
6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene has a molecular weight of 333.23 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 61097211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).