[1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol

C15H22O2 — CID 116928935

IUPAC[1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol
SMILESCOc1c(C)c(C)cc(C)c1CC1(CO)CC1
InChIInChI=1S/C15H22O2/c1-10-7-11(2)13(14(17-4)12(10)3)8-15(9-16)5-6-15/h7,16H,5-6,8-9H2,1-4H3
InChIKeyLOWCSFFXTIHATH-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.94
Rot. Bonds4

About [1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol

[1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol (PubChem CID 116928935) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is [1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol
PubChem CID116928935
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name[1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol
SMILESCOc1c(C)c(C)cc(C)c1CC1(CO)CC1
InChIInChI=1S/C15H22O2/c1-10-7-11(2)13(14(17-4)12(10)3)8-15(9-16)5-6-15/h7,16H,5-6,8-9H2,1-4H3
InChIKeyLOWCSFFXTIHATH-UHFFFAOYSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile
CID 116837181
[(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol
CID 115229239
[1-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutyl]methanol
CID 116929655
[1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropyl]methanol
CID 116928893
1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine
CID 117343091
[1-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropyl]methanol
CID 116928883
2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116927327
1-[[(2-methoxy-3,4,6-trimethylphenyl)methylamino]methyl]cyclopropan-1-amine
CID 115256740
[1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol
CID 115243235
1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117459099
2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid
CID 115171197
[1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 115243454

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol (CID 116928935) is [1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol is COc1c(C)c(C)cc(C)c1CC1(CO)CC1.
What is the InChIKey of [1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol?
The InChIKey is LOWCSFFXTIHATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-7-11(2)13(14(17-4)12(10)3)8-15(9-16)5-6-15/h7,16H,5-6,8-9H2,1-4H3.
What are the key properties of [1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol?
[1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol has a molecular weight of 234.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol is sourced from PubChem (CID 116928935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).