trans-(1R,2S)-1-cyclohexyl-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclopropan-1-ol

C18H26O2 — CID 101070884

IUPACtrans-(1R,2S)-1-cyclohexyl-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclopropan-1-ol
SMILESO[C@H](CCc1ccccc1)[C@@H]1C[C@@]1(O)C1CCCCC1
InChIInChI=1S/C18H26O2/c19-17(12-11-14-7-3-1-4-8-14)16-13-18(16,20)15-9-5-2-6-10-15/h1,3-4,7-8,15-17,19-20H,2,5-6,9-13H2/t16-,17+,18+/m0/s1
InChIKeyCDKVTGLWADNGOV-RCCFBDPRSA-N
MW274.40 g/mol
LogP3.31
Rot. Bonds5

About trans-(1R,2S)-1-cyclohexyl-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclopropan-1-ol

trans-(1R,2S)-1-cyclohexyl-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclopropan-1-ol (PubChem CID 101070884) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is trans-(1R,2S)-1-cyclohexyl-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclopropan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-1-cyclohexyl-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclopropan-1-ol
PubChem CID101070884
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Nametrans-(1R,2S)-1-cyclohexyl-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclopropan-1-ol
SMILESO[C@H](CCc1ccccc1)[C@@H]1C[C@@]1(O)C1CCCCC1
InChIInChI=1S/C18H26O2/c19-17(12-11-14-7-3-1-4-8-14)16-13-18(16,20)15-9-5-2-6-10-15/h1,3-4,7-8,15-17,19-20H,2,5-6,9-13H2/t16-,17+,18+/m0/s1
InChIKeyCDKVTGLWADNGOV-RCCFBDPRSA-N
XLogP3.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114622047
(1R,5R)-1-cyclohexyl-7-phenylheptane-1,5-diol
CID 46914940
3,3-dicyclohexylpropylbenzene
CID 86671113
1-[1-(2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338750
(1R)-1-[(1S)-2-methylcyclohept-2-en-1-yl]-3-phenylpropan-1-ol
CID 101185630
(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol
CID 101047388
[(3R)-3-cyclohexylbutyl]benzene
CID 102579407
1-cycloheptyl-3-phenylpropan-1-amine
CID 65399790
1-(1-hydroxy-3-phenylpropyl)cyclopentan-1-ol
CID 103448481
cis-(2S,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclohexan-1-one
CID 101184924
(E)-1-cyclopentyl-5-phenylpent-1-en-3-ol
CID 10263265

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-cyclohexyl-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclopropan-1-ol?
The IUPAC name of trans-(1R,2S)-1-cyclohexyl-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclopropan-1-ol (CID 101070884) is trans-(1R,2S)-1-cyclohexyl-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclopropan-1-ol.
What is the SMILES notation for trans-(1R,2S)-1-cyclohexyl-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclopropan-1-ol?
The canonical SMILES for trans-(1R,2S)-1-cyclohexyl-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclopropan-1-ol is O[C@H](CCc1ccccc1)[C@@H]1C[C@@]1(O)C1CCCCC1.
What is the InChIKey of trans-(1R,2S)-1-cyclohexyl-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclopropan-1-ol?
The InChIKey is CDKVTGLWADNGOV-RCCFBDPRSA-N. The full InChI is InChI=1S/C18H26O2/c19-17(12-11-14-7-3-1-4-8-14)16-13-18(16,20)15-9-5-2-6-10-15/h1,3-4,7-8,15-17,19-20H,2,5-6,9-13H2/t16-,17+,18+/m0/s1.
What are the key properties of trans-(1R,2S)-1-cyclohexyl-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclopropan-1-ol?
trans-(1R,2S)-1-cyclohexyl-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclopropan-1-ol has a molecular weight of 274.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-cyclohexyl-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclopropan-1-ol is sourced from PubChem (CID 101070884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).