1-(3,4-dimethylphenyl)-3-(oxan-4-yl)propan-2-ol

C16H24O2 — CID 62899788

IUPAC1-(3,4-dimethylphenyl)-3-(oxan-4-yl)propan-2-ol
SMILESCc1ccc(CC(O)CC2CCOCC2)cc1C
InChIInChI=1S/C16H24O2/c1-12-3-4-15(9-13(12)2)11-16(17)10-14-5-7-18-8-6-14/h3-4,9,14,16-17H,5-8,10-11H2,1-2H3
InChIKeyKFFDNJFEAUHYHX-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.02
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-(oxan-4-yl)propan-2-ol

1-(3,4-dimethylphenyl)-3-(oxan-4-yl)propan-2-ol (PubChem CID 62899788) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(oxan-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(oxan-4-yl)propan-2-ol
PubChem CID62899788
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(3,4-dimethylphenyl)-3-(oxan-4-yl)propan-2-ol
SMILESCc1ccc(CC(O)CC2CCOCC2)cc1C
InChIInChI=1S/C16H24O2/c1-12-3-4-15(9-13(12)2)11-16(17)10-14-5-7-18-8-6-14/h3-4,9,14,16-17H,5-8,10-11H2,1-2H3
InChIKeyKFFDNJFEAUHYHX-UHFFFAOYSA-N
XLogP3.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-3-(oxolan-3-yl)propan-2-ol
CID 103986414
1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol
CID 65167117
1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol
CID 115789651
1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol
CID 63411016
2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 63410724
1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol
CID 64560809
[2-(3,4-dimethylphenyl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105215099
1-(dimethylamino)-3-(3,4-dimethylphenyl)propan-2-ol
CID 79087098
1-(3,4-dimethylphenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol
CID 79045595
1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712521
[1-cyclobutyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine
CID 105215170
1-cyclopentyl-3-(3,5-dimethylphenyl)propan-2-ol
CID 62607509

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(oxan-4-yl)propan-2-ol?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(oxan-4-yl)propan-2-ol (CID 62899788) is 1-(3,4-dimethylphenyl)-3-(oxan-4-yl)propan-2-ol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(oxan-4-yl)propan-2-ol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(oxan-4-yl)propan-2-ol is Cc1ccc(CC(O)CC2CCOCC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(oxan-4-yl)propan-2-ol?
The InChIKey is KFFDNJFEAUHYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-12-3-4-15(9-13(12)2)11-16(17)10-14-5-7-18-8-6-14/h3-4,9,14,16-17H,5-8,10-11H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-(oxan-4-yl)propan-2-ol?
1-(3,4-dimethylphenyl)-3-(oxan-4-yl)propan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(oxan-4-yl)propan-2-ol is sourced from PubChem (CID 62899788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).