2-(2,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol

C18H20O3 — CID 114715443

IUPAC2-(2,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)C(O)CC(c1ccc(C)cc1C)O2
InChIInChI=1S/C18H20O3/c1-11-4-6-14(12(2)8-11)18-10-16(19)15-9-13(20-3)5-7-17(15)21-18/h4-9,16,18-19H,10H2,1-3H3
InChIKeyYTCYPAHFRYWENZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.87
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol

2-(2,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715443) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715443
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-(2,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)C(O)CC(c1ccc(C)cc1C)O2
InChIInChI=1S/C18H20O3/c1-11-4-6-14(12(2)8-11)18-10-16(19)15-9-13(20-3)5-7-17(15)21-18/h4-9,16,18-19H,10H2,1-3H3
InChIKeyYTCYPAHFRYWENZ-UHFFFAOYSA-N
XLogP3.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714374
2-(2-bromo-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715418
(4R)-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950234
(4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950789
(4R)-2-(4-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104980296
2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715455
(4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951026
(4R)-6-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951048
(4S)-2-(5-bromothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950840
(4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951076
(4S)-6-methoxy-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104950762
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 102846024

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(2,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol (CID 114715443) is 2-(2,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(2,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol is COc1ccc2c(c1)C(O)CC(c1ccc(C)cc1C)O2.
What is the InChIKey of 2-(2,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is YTCYPAHFRYWENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-11-4-6-14(12(2)8-11)18-10-16(19)15-9-13(20-3)5-7-17(15)21-18/h4-9,16,18-19H,10H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
2-(2,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 284.36 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).