4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene

C17H17ClO2 — CID 104768773

IUPAC4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
SMILESClCc1ccc(OCC2CCOc3ccccc32)cc1
InChIInChI=1S/C17H17ClO2/c18-11-13-5-7-15(8-6-13)20-12-14-9-10-19-17-4-2-1-3-16(14)17/h1-8,14H,9-12H2
InChIKeyOYMUNQIXFVCVLW-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.37
Rot. Bonds4

About 4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene

4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene (PubChem CID 104768773) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
PubChem CID104768773
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
SMILESClCc1ccc(OCC2CCOc3ccccc32)cc1
InChIInChI=1S/C17H17ClO2/c18-11-13-5-7-15(8-6-13)20-12-14-9-10-19-17-4-2-1-3-16(14)17/h1-8,14H,9-12H2
InChIKeyOYMUNQIXFVCVLW-UHFFFAOYSA-N
XLogP4.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.37
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

[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine
CID 104768013
4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771987
4-(3,4-dihydro-2H-chromen-4-ylmethoxy)benzoic acid
CID 104768077
4-[[3-(bromomethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768779
3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline
CID 104768037
4-[(3-fluoro-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 107171423
[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]methanol
CID 104768743
2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenol
CID 104768812
2-[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]ethanamine
CID 104770648
4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 113451150
[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine
CID 79227118
[3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol
CID 104768732

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene (CID 104768773) is 4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene is ClCc1ccc(OCC2CCOc3ccccc32)cc1.
What is the InChIKey of 4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene?
The InChIKey is OYMUNQIXFVCVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c18-11-13-5-7-15(8-6-13)20-12-14-9-10-19-17-4-2-1-3-16(14)17/h1-8,14H,9-12H2.
What are the key properties of 4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene?
4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene has a molecular weight of 288.77 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 104768773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).