[(1R,2S,3R)-1,2-dimethyl-3-[(1S)-1-phenylethyl]cyclopropyl]methanol

C14H20O — CID 126633580

IUPAC[(1R,2S,3R)-1,2-dimethyl-3-[(1S)-1-phenylethyl]cyclopropyl]methanol
SMILESC[C@H](c1ccccc1)[C@@H]1[C@H](C)[C@@]1(C)CO
InChIInChI=1S/C14H20O/c1-10(12-7-5-4-6-8-12)13-11(2)14(13,3)9-15/h4-8,10-11,13,15H,9H2,1-3H3/t10-,11+,13-,14-/m1/s1
InChIKeyFNOGEOOTCRHRAO-ZMJPVWNMSA-N
MW204.31 g/mol
LogP3.05
Rot. Bonds3

About [(1R,2S,3R)-1,2-dimethyl-3-[(1S)-1-phenylethyl]cyclopropyl]methanol

[(1R,2S,3R)-1,2-dimethyl-3-[(1S)-1-phenylethyl]cyclopropyl]methanol (PubChem CID 126633580) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is [(1R,2S,3R)-1,2-dimethyl-3-[(1S)-1-phenylethyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S,3R)-1,2-dimethyl-3-[(1S)-1-phenylethyl]cyclopropyl]methanol
PubChem CID126633580
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name[(1R,2S,3R)-1,2-dimethyl-3-[(1S)-1-phenylethyl]cyclopropyl]methanol
SMILESC[C@H](c1ccccc1)[C@@H]1[C@H](C)[C@@]1(C)CO
InChIInChI=1S/C14H20O/c1-10(12-7-5-4-6-8-12)13-11(2)14(13,3)9-15/h4-8,10-11,13,15H,9H2,1-3H3/t10-,11+,13-,14-/m1/s1
InChIKeyFNOGEOOTCRHRAO-ZMJPVWNMSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,2S,3R)-1,2-dimethyl-3-[(1R)-1-phenylethyl]cyclopropyl]methyl prop-2-enoate
CID 144950296
cis-(3S,4S)-3-(hydroxymethyl)-3,4,5-trimethyl-2-phenylcyclopentan-1-one
CID 59110776
(1S)-1-[(1S,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropyl]ethanol
CID 118556579
ethanol;3-(1-phenylethyl)azetidine
CID 19888360
3-methyl-4-(1-phenylethyl)piperidine-2,6-dione
CID 79317878
5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione
CID 101057113
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
cis-(1R,3S)-3-benzhydryl-2,2-dimethylcyclopropan-1-amine
CID 178197780
cumene;hydrogen peroxide
CID 21225480
[1,2-dimethyl-2-(1-phenylethyl)cyclopropyl]methanol
CID 78427689
3-ethyl-4-(1-phenylethyl)piperidine-2,6-dione
CID 79321359

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R)-1,2-dimethyl-3-[(1S)-1-phenylethyl]cyclopropyl]methanol?
The IUPAC name of [(1R,2S,3R)-1,2-dimethyl-3-[(1S)-1-phenylethyl]cyclopropyl]methanol (CID 126633580) is [(1R,2S,3R)-1,2-dimethyl-3-[(1S)-1-phenylethyl]cyclopropyl]methanol.
What is the SMILES notation for [(1R,2S,3R)-1,2-dimethyl-3-[(1S)-1-phenylethyl]cyclopropyl]methanol?
The canonical SMILES for [(1R,2S,3R)-1,2-dimethyl-3-[(1S)-1-phenylethyl]cyclopropyl]methanol is C[C@H](c1ccccc1)[C@@H]1[C@H](C)[C@@]1(C)CO.
What is the InChIKey of [(1R,2S,3R)-1,2-dimethyl-3-[(1S)-1-phenylethyl]cyclopropyl]methanol?
The InChIKey is FNOGEOOTCRHRAO-ZMJPVWNMSA-N. The full InChI is InChI=1S/C14H20O/c1-10(12-7-5-4-6-8-12)13-11(2)14(13,3)9-15/h4-8,10-11,13,15H,9H2,1-3H3/t10-,11+,13-,14-/m1/s1.
What are the key properties of [(1R,2S,3R)-1,2-dimethyl-3-[(1S)-1-phenylethyl]cyclopropyl]methanol?
[(1R,2S,3R)-1,2-dimethyl-3-[(1S)-1-phenylethyl]cyclopropyl]methanol has a molecular weight of 204.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R)-1,2-dimethyl-3-[(1S)-1-phenylethyl]cyclopropyl]methanol is sourced from PubChem (CID 126633580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).