1-cyclopropyl-1-methoxy-3-(2,4,6-trimethylphenyl)propan-2-ol

C16H24O2 — CID 116712644

IUPAC1-cyclopropyl-1-methoxy-3-(2,4,6-trimethylphenyl)propan-2-ol
SMILESCOC(C(O)Cc1c(C)cc(C)cc1C)C1CC1
InChIInChI=1S/C16H24O2/c1-10-7-11(2)14(12(3)8-10)9-15(17)16(18-4)13-5-6-13/h7-8,13,15-17H,5-6,9H2,1-4H3
InChIKeyDKZFNVISGCVIGL-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.94
Rot. Bonds5

About 1-cyclopropyl-1-methoxy-3-(2,4,6-trimethylphenyl)propan-2-ol

1-cyclopropyl-1-methoxy-3-(2,4,6-trimethylphenyl)propan-2-ol (PubChem CID 116712644) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-cyclopropyl-1-methoxy-3-(2,4,6-trimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-1-methoxy-3-(2,4,6-trimethylphenyl)propan-2-ol
PubChem CID116712644
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-cyclopropyl-1-methoxy-3-(2,4,6-trimethylphenyl)propan-2-ol
SMILESCOC(C(O)Cc1c(C)cc(C)cc1C)C1CC1
InChIInChI=1S/C16H24O2/c1-10-7-11(2)14(12(3)8-10)9-15(17)16(18-4)13-5-6-13/h7-8,13,15-17H,5-6,9H2,1-4H3
InChIKeyDKZFNVISGCVIGL-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(2,5-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712602
3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 79616533
1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol
CID 116712560
1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712521
1-cyclopropyl-3-(2,6-dichlorophenyl)-1-methoxypropan-2-ol
CID 116712594
3-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-ol
CID 116710908
1-cyclopropyl-1,3-dimethoxypropan-2-ol
CID 116712579
1-cyclopropyl-4-(2,4,6-trimethylphenyl)butan-1-ol
CID 64515133
3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 103048349
1-cyclopropyl-1-methoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 116712400
3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712466
3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712649

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methoxy-3-(2,4,6-trimethylphenyl)propan-2-ol?
The IUPAC name of 1-cyclopropyl-1-methoxy-3-(2,4,6-trimethylphenyl)propan-2-ol (CID 116712644) is 1-cyclopropyl-1-methoxy-3-(2,4,6-trimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-cyclopropyl-1-methoxy-3-(2,4,6-trimethylphenyl)propan-2-ol?
The canonical SMILES for 1-cyclopropyl-1-methoxy-3-(2,4,6-trimethylphenyl)propan-2-ol is COC(C(O)Cc1c(C)cc(C)cc1C)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methoxy-3-(2,4,6-trimethylphenyl)propan-2-ol?
The InChIKey is DKZFNVISGCVIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-10-7-11(2)14(12(3)8-10)9-15(17)16(18-4)13-5-6-13/h7-8,13,15-17H,5-6,9H2,1-4H3.
What are the key properties of 1-cyclopropyl-1-methoxy-3-(2,4,6-trimethylphenyl)propan-2-ol?
1-cyclopropyl-1-methoxy-3-(2,4,6-trimethylphenyl)propan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methoxy-3-(2,4,6-trimethylphenyl)propan-2-ol is sourced from PubChem (CID 116712644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).