2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene

C17H17BrO2 — CID 10568614

IUPAC2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
SMILESBrCC1CCc2ccc(OCc3ccccc3)cc2O1
InChIInChI=1S/C17H17BrO2/c18-11-16-9-7-14-6-8-15(10-17(14)20-16)19-12-13-4-2-1-3-5-13/h1-6,8,10,16H,7,9,11-12H2
InChIKeyRQTNPYINUOYIJZ-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.35
Rot. Bonds4

About 2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene

2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene (PubChem CID 10568614) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
PubChem CID10568614
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
SMILESBrCC1CCc2ccc(OCc3ccccc3)cc2O1
InChIInChI=1S/C17H17BrO2/c18-11-16-9-7-14-6-8-15(10-17(14)20-16)19-12-13-4-2-1-3-5-13/h1-6,8,10,16H,7,9,11-12H2
InChIKeyRQTNPYINUOYIJZ-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.35
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

2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 67216701
N-benzyl-1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methanamine;2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene;methane;phenylmethanamine;hydrochloride
CID 158865969
N-benzyl-2-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)ethanamine
CID 70035446
1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)butan-2-amine
CID 173250848
7-phenylmethoxy-3,4-dihydro-2H-chromene-2-carbaldehyde;(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methanol
CID 159424302
3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]pentan-1-amine
CID 70052978
4-ethoxy-1-[(2R)-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl]butan-2-amine
CID 91508008
3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine
CID 10113997
7-ethoxy-2-(4-ethoxy-2-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene
CID 139828260
2-(2-ethoxy-4-methoxyphenyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 139828383
(2R)-6-phenylmethoxy-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene
CID 142956928
methyl (2S)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 101035313

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene?
The IUPAC name of 2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene (CID 10568614) is 2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene is BrCC1CCc2ccc(OCc3ccccc3)cc2O1.
What is the InChIKey of 2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene?
The InChIKey is RQTNPYINUOYIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c18-11-16-9-7-14-6-8-15(10-17(14)20-16)19-12-13-4-2-1-3-5-13/h1-6,8,10,16H,7,9,11-12H2.
What are the key properties of 2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene?
2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene has a molecular weight of 333.23 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene is sourced from PubChem (CID 10568614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).