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

C18H20O2 — CID 103432382

IUPAC4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene
SMILESCc1cccc(OCC2CCOc3ccccc32)c1C
InChIInChI=1S/C18H20O2/c1-13-6-5-9-17(14(13)2)20-12-15-10-11-19-18-8-4-3-7-16(15)18/h3-9,15H,10-12H2,1-2H3
InChIKeyRMTVZEVVGJITAG-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.25
Rot. Bonds3

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

4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene (PubChem CID 103432382) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene
PubChem CID103432382
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene
SMILESCc1cccc(OCC2CCOc3ccccc32)c1C
InChIInChI=1S/C18H20O2/c1-13-6-5-9-17(14(13)2)20-12-15-10-11-19-18-8-4-3-7-16(15)18/h3-9,15H,10-12H2,1-2H3
InChIKeyRMTVZEVVGJITAG-UHFFFAOYSA-N
XLogP4.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
(1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine
CID 104768135
4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104768526
4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771987
4-[(3-fluoro-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 107171423
[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine
CID 104768013
[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol
CID 107698362
3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline
CID 104768037
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

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene (CID 103432382) is 4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene is Cc1cccc(OCC2CCOc3ccccc32)c1C.
What is the InChIKey of 4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene?
The InChIKey is RMTVZEVVGJITAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-13-6-5-9-17(14(13)2)20-12-15-10-11-19-18-8-4-3-7-16(15)18/h3-9,15H,10-12H2,1-2H3.
What are the key properties of 4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene?
4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene has a molecular weight of 268.36 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 103432382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).