[(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol

C15H22O — CID 101336318

IUPAC[(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol
SMILESCCCC[C@@]1(C)C[C@@]1(CO)c1ccccc1
InChIInChI=1S/C15H22O/c1-3-4-10-14(2)11-15(14,12-16)13-8-6-5-7-9-13/h5-9,16H,3-4,10-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyKVFLDZDGVWBVOH-LSDHHAIUSA-N
MW218.34 g/mol
LogP3.52
Rot. Bonds5

About [(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol

[(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol (PubChem CID 101336318) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is [(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol
PubChem CID101336318
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name[(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol
SMILESCCCC[C@@]1(C)C[C@@]1(CO)c1ccccc1
InChIInChI=1S/C15H22O/c1-3-4-10-14(2)11-15(14,12-16)13-8-6-5-7-9-13/h5-9,16H,3-4,10-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyKVFLDZDGVWBVOH-LSDHHAIUSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1-butylcyclobutyl)benzene
CID 57200184
[(1R,2S)-2-fluoro-2-methyl-1-phenylcyclobutyl]methanol
CID 14002008
sodium;1-butoxycarbonyl-2-(hydroxymethyl)-2-phenylcyclopropane-1-carboxylic acid;hydride
CID 174501394
[(1R,2S)-1-butyl-2-methylcyclopropyl]benzene
CID 101248337
[(1S)-1-butyl-2-methylidenecyclopropyl]benzene
CID 102163735
N-butylimino-4-phenylpiperidine-4-carboxamide
CID 174322704
N-butylimino-4-phenylpiperidine-4-carboxamide;hydrochloride
CID 174322703
[(1R,2S,3R)-2-hexyl-3-iodo-2-methyl-1-phenylcyclopropyl]methanol
CID 11406114
1-(3-phenyl-1-bicyclo[1.1.0]butanyl)pentan-1-one
CID 176907665
3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
CID 67978638
trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol
CID 101173351
[(1S,2R)-2-methyl-2-phenylcyclopropyl]methanol
CID 15781967

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol?
The IUPAC name of [(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol (CID 101336318) is [(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol.
What is the SMILES notation for [(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol?
The canonical SMILES for [(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol is CCCC[C@@]1(C)C[C@@]1(CO)c1ccccc1.
What is the InChIKey of [(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol?
The InChIKey is KVFLDZDGVWBVOH-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H22O/c1-3-4-10-14(2)11-15(14,12-16)13-8-6-5-7-9-13/h5-9,16H,3-4,10-12H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of [(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol?
[(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol has a molecular weight of 218.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol is sourced from PubChem (CID 101336318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).