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

C17H18O2 — CID 70119478

IUPAC4-(3,4-dihydro-2H-chromen-4-yl)-2,6-dimethylphenol
SMILESCc1cc(C2CCOc3ccccc32)cc(C)c1O
InChIInChI=1S/C17H18O2/c1-11-9-13(10-12(2)17(11)18)14-7-8-19-16-6-4-3-5-15(14)16/h3-6,9-10,14,18H,7-8H2,1-2H3
InChIKeyUFNCXUIWYFQHPG-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.92
Rot. Bonds1

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

4-(3,4-dihydro-2H-chromen-4-yl)-2,6-dimethylphenol (PubChem CID 70119478) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-4-yl)-2,6-dimethylphenol.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-4-yl)-2,6-dimethylphenol
PubChem CID70119478
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name4-(3,4-dihydro-2H-chromen-4-yl)-2,6-dimethylphenol
SMILESCc1cc(C2CCOc3ccccc32)cc(C)c1O
InChIInChI=1S/C17H18O2/c1-11-9-13(10-12(2)17(11)18)14-7-8-19-16-6-4-3-5-15(14)16/h3-6,9-10,14,18H,7-8H2,1-2H3
InChIKeyUFNCXUIWYFQHPG-UHFFFAOYSA-N
XLogP3.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 65407342
ethyl 2-[4-(3,4-dihydro-2H-chromen-4-yl)phenoxy]-2-phenoxyacetate
CID 54558409
(4S)-4-iodo-3,4-dihydro-2H-chromene
CID 146562180
4-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-2,6-difluorophenol
CID 79831854
N-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 134791910
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
CID 63709569
1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 65406397
N-(4-bromo-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107571684
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
3-(3,4-dihydro-2H-chromen-4-yl)-5-(4-methylquinolin-2-yl)-1,2,4-oxadiazole
CID 167899817
2-(3,4-dihydro-2H-chromen-4-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476665

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-4-yl)-2,6-dimethylphenol?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-4-yl)-2,6-dimethylphenol (CID 70119478) is 4-(3,4-dihydro-2H-chromen-4-yl)-2,6-dimethylphenol.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-4-yl)-2,6-dimethylphenol?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-4-yl)-2,6-dimethylphenol is Cc1cc(C2CCOc3ccccc32)cc(C)c1O.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-4-yl)-2,6-dimethylphenol?
The InChIKey is UFNCXUIWYFQHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-11-9-13(10-12(2)17(11)18)14-7-8-19-16-6-4-3-5-15(14)16/h3-6,9-10,14,18H,7-8H2,1-2H3.
What are the key properties of 4-(3,4-dihydro-2H-chromen-4-yl)-2,6-dimethylphenol?
4-(3,4-dihydro-2H-chromen-4-yl)-2,6-dimethylphenol has a molecular weight of 254.33 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-4-yl)-2,6-dimethylphenol is sourced from PubChem (CID 70119478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).