4-(3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol

C15H14O3 — CID 139809687

IUPAC4-(3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol
SMILESOc1ccc(C2COc3ccccc3C2)c(O)c1
InChIInChI=1S/C15H14O3/c16-12-5-6-13(14(17)8-12)11-7-10-3-1-2-4-15(10)18-9-11/h1-6,8,11,16-17H,7,9H2
InChIKeyUEUUHOJGNVCWOT-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.82
Rot. Bonds1

About 4-(3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol

4-(3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol (PubChem CID 139809687) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol
PubChem CID139809687
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name4-(3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol
SMILESOc1ccc(C2COc3ccccc3C2)c(O)c1
InChIInChI=1S/C15H14O3/c16-12-5-6-13(14(17)8-12)11-7-10-3-1-2-4-15(10)18-9-11/h1-6,8,11,16-17H,7,9H2
InChIKeyUEUUHOJGNVCWOT-UHFFFAOYSA-N
XLogP2.82
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(7S)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]benzene-1,3-diol
CID 76764233
3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 591830
3-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-7-ol
CID 177248657
4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol;ethane
CID 155725213
4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,2-diol
CID 52941222
4-[(3S)-7-hydroxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol
CID 51136421
4-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
CID 162915335
3-(3-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 146276535
8-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol
CID 162946117
(3S,4R)-4-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-methoxyphenyl]-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 118983375
(3S)-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene
CID 100986544
(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 15536179

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol (CID 139809687) is 4-(3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol is Oc1ccc(C2COc3ccccc3C2)c(O)c1.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol?
The InChIKey is UEUUHOJGNVCWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-12-5-6-13(14(17)8-12)11-7-10-3-1-2-4-15(10)18-9-11/h1-6,8,11,16-17H,7,9H2.
What are the key properties of 4-(3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol?
4-(3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol has a molecular weight of 242.27 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol is sourced from PubChem (CID 139809687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).