[(1S,2S)-1-methyl-2-[1-(3-methylphenyl)ethyl]cyclopropyl]methanol

C14H20O — CID 118564167

IUPAC[(1S,2S)-1-methyl-2-[1-(3-methylphenyl)ethyl]cyclopropyl]methanol
SMILESCc1cccc(C(C)[C@@H]2C[C@]2(C)CO)c1
InChIInChI=1S/C14H20O/c1-10-5-4-6-12(7-10)11(2)13-8-14(13,3)9-15/h4-7,11,13,15H,8-9H2,1-3H3/t11?,13-,14+/m0/s1
InChIKeyVJTJXRSTIWYURQ-SBKAZOPESA-N
MW204.31 g/mol
LogP3.12
Rot. Bonds3

About [(1S,2S)-1-methyl-2-[1-(3-methylphenyl)ethyl]cyclopropyl]methanol

[(1S,2S)-1-methyl-2-[1-(3-methylphenyl)ethyl]cyclopropyl]methanol (PubChem CID 118564167) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is [(1S,2S)-1-methyl-2-[1-(3-methylphenyl)ethyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-1-methyl-2-[1-(3-methylphenyl)ethyl]cyclopropyl]methanol
PubChem CID118564167
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name[(1S,2S)-1-methyl-2-[1-(3-methylphenyl)ethyl]cyclopropyl]methanol
SMILESCc1cccc(C(C)[C@@H]2C[C@]2(C)CO)c1
InChIInChI=1S/C14H20O/c1-10-5-4-6-12(7-10)11(2)13-8-14(13,3)9-15/h4-7,11,13,15H,8-9H2,1-3H3/t11?,13-,14+/m0/s1
InChIKeyVJTJXRSTIWYURQ-SBKAZOPESA-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

[(1S,2S)-1-methyl-2-[(1S)-1-(4-methylphenyl)ethyl]cyclopropyl]methanol
CID 118556574
2-cyclopropyl-2-(3-methylphenyl)ethanol
CID 104819581
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
(2,2-dimethylcyclopropyl)-(3-methylphenyl)methanamine
CID 107004134
2-(3-methylphenyl)propan-1-ol
CID 21478686
benzene;ethane;1-methyl-3-propan-2-ylbenzene
CID 143383161
3-(3-methylphenyl)-2-oxobutanoic acid
CID 15158864
1-(difluoromethyl)-3-methylbenzene;ethane;1,3-xylene
CID 177243602
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol
CID 115894712
2,2-bis(3-methylphenyl)ethylphosphane
CID 175045111
1-(1-hydroperoxyethyl)-3-methylbenzene
CID 131858292

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-methyl-2-[1-(3-methylphenyl)ethyl]cyclopropyl]methanol?
The IUPAC name of [(1S,2S)-1-methyl-2-[1-(3-methylphenyl)ethyl]cyclopropyl]methanol (CID 118564167) is [(1S,2S)-1-methyl-2-[1-(3-methylphenyl)ethyl]cyclopropyl]methanol.
What is the SMILES notation for [(1S,2S)-1-methyl-2-[1-(3-methylphenyl)ethyl]cyclopropyl]methanol?
The canonical SMILES for [(1S,2S)-1-methyl-2-[1-(3-methylphenyl)ethyl]cyclopropyl]methanol is Cc1cccc(C(C)[C@@H]2C[C@]2(C)CO)c1.
What is the InChIKey of [(1S,2S)-1-methyl-2-[1-(3-methylphenyl)ethyl]cyclopropyl]methanol?
The InChIKey is VJTJXRSTIWYURQ-SBKAZOPESA-N. The full InChI is InChI=1S/C14H20O/c1-10-5-4-6-12(7-10)11(2)13-8-14(13,3)9-15/h4-7,11,13,15H,8-9H2,1-3H3/t11?,13-,14+/m0/s1.
What are the key properties of [(1S,2S)-1-methyl-2-[1-(3-methylphenyl)ethyl]cyclopropyl]methanol?
[(1S,2S)-1-methyl-2-[1-(3-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 [(1S,2S)-1-methyl-2-[1-(3-methylphenyl)ethyl]cyclopropyl]methanol is sourced from PubChem (CID 118564167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).