1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol

C16H24O2 — CID 65167117

IUPAC1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol
SMILESCc1ccc(CC(O)CCC2CCCO2)cc1C
InChIInChI=1S/C16H24O2/c1-12-5-6-14(10-13(12)2)11-15(17)7-8-16-4-3-9-18-16/h5-6,10,15-17H,3-4,7-9,11H2,1-2H3
InChIKeyVONKVSCEMZRQOJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.17
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol

1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol (PubChem CID 65167117) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol
PubChem CID65167117
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol
SMILESCc1ccc(CC(O)CCC2CCCO2)cc1C
InChIInChI=1S/C16H24O2/c1-12-5-6-14(10-13(12)2)11-15(17)7-8-16-4-3-9-18-16/h5-6,10,15-17H,3-4,7-9,11H2,1-2H3
InChIKeyVONKVSCEMZRQOJ-UHFFFAOYSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(oxolan-2-yl)-1-phenylbutan-2-ol
CID 65162186
1-(3,4-dimethylphenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 63952361
4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 115781964
1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
CID 66461132
1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
CID 115833432
1-(5-bromo-2-methoxyphenyl)-4-(oxolan-2-yl)butan-2-ol
CID 115779296
1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol
CID 115822339
1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-ol
CID 65167329
3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 65160613
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107516231
1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156280
1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol
CID 115824182

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol (CID 65167117) is 1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol is Cc1ccc(CC(O)CCC2CCCO2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol?
The InChIKey is VONKVSCEMZRQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-12-5-6-14(10-13(12)2)11-15(17)7-8-16-4-3-9-18-16/h5-6,10,15-17H,3-4,7-9,11H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol?
1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol is sourced from PubChem (CID 65167117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).