3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol

C16H24O2 — CID 65160613

IUPAC3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C(O)CCC2CCCO2)c(C)c1
InChIInChI=1S/C16H24O2/c1-11-9-12(2)16(13(3)10-11)15(17)7-6-14-5-4-8-18-14/h9-10,14-15,17H,4-8H2,1-3H3
InChIKeyNGVMBMAHNAZECZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.60
Rot. Bonds4

About 3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol

3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol (PubChem CID 65160613) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
PubChem CID65160613
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C(O)CCC2CCCO2)c(C)c1
InChIInChI=1S/C16H24O2/c1-11-9-12(2)16(13(3)10-11)15(17)7-6-14-5-4-8-18-14/h9-10,14-15,17H,4-8H2,1-3H3
InChIKeyNGVMBMAHNAZECZ-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 115781964
[4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butyl]hydrazine
CID 105314099
1-(2-methylnaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol
CID 81432637
1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65161655
1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 79730679
1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65158286
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107516231
1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65158041
1-(2-methyl-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 106756236
2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane
CID 65157706
2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 65154946
1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-ol
CID 115831545

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol?
The IUPAC name of 3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol (CID 65160613) is 3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol?
The canonical SMILES for 3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol is Cc1cc(C)c(C(O)CCC2CCCO2)c(C)c1.
What is the InChIKey of 3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol?
The InChIKey is NGVMBMAHNAZECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-11-9-12(2)16(13(3)10-11)15(17)7-6-14-5-4-8-18-14/h9-10,14-15,17H,4-8H2,1-3H3.
What are the key properties of 3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol?
3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol is sourced from PubChem (CID 65160613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).