[(1R,2S)-1-methyl-2-[(1S)-1-(2-methylphenyl)ethyl]cyclopropyl]methanol

C14H20O — CID 118556661

IUPAC[(1R,2S)-1-methyl-2-[(1S)-1-(2-methylphenyl)ethyl]cyclopropyl]methanol
SMILESCc1ccccc1[C@@H](C)[C@@H]1C[C@@]1(C)CO
InChIInChI=1S/C14H20O/c1-10-6-4-5-7-12(10)11(2)13-8-14(13,3)9-15/h4-7,11,13,15H,8-9H2,1-3H3/t11-,13+,14+/m1/s1
InChIKeyUZOWXEWLIYICIH-XBFCOCLRSA-N
MW204.31 g/mol
LogP3.12
Rot. Bonds3

About [(1R,2S)-1-methyl-2-[(1S)-1-(2-methylphenyl)ethyl]cyclopropyl]methanol

[(1R,2S)-1-methyl-2-[(1S)-1-(2-methylphenyl)ethyl]cyclopropyl]methanol (PubChem CID 118556661) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is [(1R,2S)-1-methyl-2-[(1S)-1-(2-methylphenyl)ethyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-1-methyl-2-[(1S)-1-(2-methylphenyl)ethyl]cyclopropyl]methanol
PubChem CID118556661
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name[(1R,2S)-1-methyl-2-[(1S)-1-(2-methylphenyl)ethyl]cyclopropyl]methanol
SMILESCc1ccccc1[C@@H](C)[C@@H]1C[C@@]1(C)CO
InChIInChI=1S/C14H20O/c1-10-6-4-5-7-12(10)11(2)13-8-14(13,3)9-15/h4-7,11,13,15H,8-9H2,1-3H3/t11-,13+,14+/m1/s1
InChIKeyUZOWXEWLIYICIH-XBFCOCLRSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,2S)-1-methyl-2-[1-(2-methylphenyl)ethyl]cyclopropyl]methanol
CID 118564070
[(1R,2S)-1-methyl-2-[(1R)-1-(4-methylphenyl)ethyl]cyclopropyl]methanol
CID 90431842
[(1S,2S)-1-methyl-2-[(1S)-1-(4-methylphenyl)ethyl]cyclopropyl]methanol
CID 118556574
(4R,5R)-2,2,4-trimethyl-5-[(1S)-1-(2-methylphenyl)ethyl]oxolane
CID 101398624
2-[(3,3-dimethylcyclobutyl)methylamino]-1-(2-methylphenyl)ethanol
CID 123256673
[(1R,2S)-1-methyl-2-phenylcyclopropyl]methanol
CID 10607081
[(1R)-1-[2-methyl-2-(3-methylbut-1-en-2-yloxymethyl)cyclopropyl]ethyl]benzene
CID 126633442
1-adamantyl-(2-methylphenyl)methanol
CID 63410950
CID 67747413
CID 67747413
(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol
CID 97035285
[1-[(1R)-2-amino-1-(2-methylphenyl)ethyl]cyclopentyl]methanol
CID 125454181
3-[1-(2-methylphenyl)ethyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 11695230

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-methyl-2-[(1S)-1-(2-methylphenyl)ethyl]cyclopropyl]methanol?
The IUPAC name of [(1R,2S)-1-methyl-2-[(1S)-1-(2-methylphenyl)ethyl]cyclopropyl]methanol (CID 118556661) is [(1R,2S)-1-methyl-2-[(1S)-1-(2-methylphenyl)ethyl]cyclopropyl]methanol.
What is the SMILES notation for [(1R,2S)-1-methyl-2-[(1S)-1-(2-methylphenyl)ethyl]cyclopropyl]methanol?
The canonical SMILES for [(1R,2S)-1-methyl-2-[(1S)-1-(2-methylphenyl)ethyl]cyclopropyl]methanol is Cc1ccccc1[C@@H](C)[C@@H]1C[C@@]1(C)CO.
What is the InChIKey of [(1R,2S)-1-methyl-2-[(1S)-1-(2-methylphenyl)ethyl]cyclopropyl]methanol?
The InChIKey is UZOWXEWLIYICIH-XBFCOCLRSA-N. The full InChI is InChI=1S/C14H20O/c1-10-6-4-5-7-12(10)11(2)13-8-14(13,3)9-15/h4-7,11,13,15H,8-9H2,1-3H3/t11-,13+,14+/m1/s1.
What are the key properties of [(1R,2S)-1-methyl-2-[(1S)-1-(2-methylphenyl)ethyl]cyclopropyl]methanol?
[(1R,2S)-1-methyl-2-[(1S)-1-(2-methylphenyl)ethyl]cyclopropyl]methanol has a molecular weight of 204.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-methyl-2-[(1S)-1-(2-methylphenyl)ethyl]cyclopropyl]methanol is sourced from PubChem (CID 118556661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).