3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol

C18H20O2 — CID 65412330

IUPAC3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol
SMILESCc1ccc(C(O)C2COc3ccccc3C2)cc1C
InChIInChI=1S/C18H20O2/c1-12-7-8-15(9-13(12)2)18(19)16-10-14-5-3-4-6-17(14)20-11-16/h3-9,16,18-19H,10-11H2,1-2H3
InChIKeyUFYYAGFTKVAJMT-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.59
Rot. Bonds2

About 3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol

3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol (PubChem CID 65412330) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol
PubChem CID65412330
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol
SMILESCc1ccc(C(O)C2COc3ccccc3C2)cc1C
InChIInChI=1S/C18H20O2/c1-12-7-8-15(9-13(12)2)18(19)16-10-14-5-3-4-6-17(14)20-11-16/h3-9,16,18-19H,10-11H2,1-2H3
InChIKeyUFYYAGFTKVAJMT-UHFFFAOYSA-N
XLogP3.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-chromen-3-yl-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106881075
3,4-dihydro-2H-chromen-3-yl(pyridin-3-yl)methanol
CID 65412130
3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine
CID 65411860
1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol
CID 65410770
3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol
CID 65411549
(3-chloro-4-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanol
CID 107560051
2,3-dihydro-1H-inden-2-yl-(3-fluoro-4-methylphenyl)methanol
CID 107128521
1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol
CID 79446324
2,3-dihydro-1-benzofuran-7-yl(3,4-dihydro-2H-chromen-3-yl)methanol
CID 114744588
5-[3,4-dihydro-2H-chromen-3-yl(hydroxy)methyl]furan-2-carboxylic acid
CID 106947406
3-[amino(3,4-dihydro-2H-chromen-3-yl)methyl]-5-methylpyridin-2-amine
CID 65411469
1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 65409900

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol?
The IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol (CID 65412330) is 3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol?
The canonical SMILES for 3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol is Cc1ccc(C(O)C2COc3ccccc3C2)cc1C.
What is the InChIKey of 3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol?
The InChIKey is UFYYAGFTKVAJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-12-7-8-15(9-13(12)2)18(19)16-10-14-5-3-4-6-17(14)20-11-16/h3-9,16,18-19H,10-11H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol?
3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol has a molecular weight of 268.36 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol is sourced from PubChem (CID 65412330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).