2-(3,4-dihydro-2H-chromen-2-yl)-6-methoxyphenol

C16H16O3 — CID 101032427

IUPAC2-(3,4-dihydro-2H-chromen-2-yl)-6-methoxyphenol
SMILESCOc1cccc(C2CCc3ccccc3O2)c1O
InChIInChI=1S/C16H16O3/c1-18-15-8-4-6-12(16(15)17)14-10-9-11-5-2-3-7-13(11)19-14/h2-8,14,17H,9-10H2,1H3
InChIKeyJALYDQVXJVDSKB-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.47
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-2-yl)-6-methoxyphenol

2-(3,4-dihydro-2H-chromen-2-yl)-6-methoxyphenol (PubChem CID 101032427) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-2-yl)-6-methoxyphenol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-2-yl)-6-methoxyphenol
PubChem CID101032427
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-(3,4-dihydro-2H-chromen-2-yl)-6-methoxyphenol
SMILESCOc1cccc(C2CCc3ccccc3O2)c1O
InChIInChI=1S/C16H16O3/c1-18-15-8-4-6-12(16(15)17)14-10-9-11-5-2-3-7-13(11)19-14/h2-8,14,17H,9-10H2,1H3
InChIKeyJALYDQVXJVDSKB-UHFFFAOYSA-N
XLogP3.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzofuran-2-yl)-4,6-dimethoxyphenol
CID 16679967
(5S)-5-(2-methoxyphenyl)oxolan-2-one
CID 10750262
2-phenyl-3,4-dihydro-2H-chromene
CID 157336431
2-methoxy-6-(3-methyloxiran-2-yl)phenol
CID 130036138
ethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one
CID 163229025
2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene;2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene;3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene;4-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 158514704
3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-ol
CID 175983672
calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene
CID 175471981
(2S)-2-(2-hydroxy-3,4,5-trimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-8-ol
CID 44567055
2-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-6-methoxyphenol
CID 177432680
2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-6-ol
CID 71292959
2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol
CID 161182223

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-2-yl)-6-methoxyphenol?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-2-yl)-6-methoxyphenol (CID 101032427) is 2-(3,4-dihydro-2H-chromen-2-yl)-6-methoxyphenol.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-2-yl)-6-methoxyphenol?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-2-yl)-6-methoxyphenol is COc1cccc(C2CCc3ccccc3O2)c1O.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-2-yl)-6-methoxyphenol?
The InChIKey is JALYDQVXJVDSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-18-15-8-4-6-12(16(15)17)14-10-9-11-5-2-3-7-13(11)19-14/h2-8,14,17H,9-10H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-2-yl)-6-methoxyphenol?
2-(3,4-dihydro-2H-chromen-2-yl)-6-methoxyphenol has a molecular weight of 256.30 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-2-yl)-6-methoxyphenol is sourced from PubChem (CID 101032427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).