(2R)-2-[(1S)-2,2-diphenylcyclopropyl]but-3-en-2-ol

C19H20O — CID 135015191

IUPAC(2R)-2-[(1S)-2,2-diphenylcyclopropyl]but-3-en-2-ol
SMILESC=C[C@@](C)(O)[C@H]1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O/c1-3-18(2,20)17-14-19(17,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h3-13,17,20H,1,14H2,2H3/t17-,18-/m1/s1
InChIKeyXPTIMACVGAOVEX-QZTJIDSGSA-N
MW264.37 g/mol
LogP3.93
Rot. Bonds4

About (2R)-2-[(1S)-2,2-diphenylcyclopropyl]but-3-en-2-ol

(2R)-2-[(1S)-2,2-diphenylcyclopropyl]but-3-en-2-ol (PubChem CID 135015191) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is (2R)-2-[(1S)-2,2-diphenylcyclopropyl]but-3-en-2-ol.

Molecular Properties

Compound Name(2R)-2-[(1S)-2,2-diphenylcyclopropyl]but-3-en-2-ol
PubChem CID135015191
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name(2R)-2-[(1S)-2,2-diphenylcyclopropyl]but-3-en-2-ol
SMILESC=C[C@@](C)(O)[C@H]1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O/c1-3-18(2,20)17-14-19(17,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h3-13,17,20H,1,14H2,2H3/t17-,18-/m1/s1
InChIKeyXPTIMACVGAOVEX-QZTJIDSGSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-diphenylcyclopropyl)-1-methoxypent-4-en-2-ol
CID 11594723
(1R,2S,5S)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol
CID 10663839
(2R)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol;hydrochloride
CID 67744270
cis-(1S,3S)-1-(2-methylbut-3-en-2-yl)-3-phenylcyclohexan-1-ol
CID 101481137
2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol
CID 15579859
3-[2-(3-hydroxypenta-1,4-dien-3-yl)phenyl]penta-1,4-dien-3-ol
CID 154196116
trans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol
CID 175816739
2-(1-phenylcyclopentyl)propan-2-ol
CID 131445043
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
[1-(2,2-diphenylcyclopropyl)-2-methylprop-1-enyl] 2,2-dimethylpropanoate
CID 135068975
3-[2-(2,2-diphenylcyclopropyl)cyclopropyl]-3-hydroxy-2,2-dimethylpropanal
CID 102275177
(1-but-2-en-2-yl-2-phenylcyclopropyl)benzene
CID 601375

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-2,2-diphenylcyclopropyl]but-3-en-2-ol?
The IUPAC name of (2R)-2-[(1S)-2,2-diphenylcyclopropyl]but-3-en-2-ol (CID 135015191) is (2R)-2-[(1S)-2,2-diphenylcyclopropyl]but-3-en-2-ol.
What is the SMILES notation for (2R)-2-[(1S)-2,2-diphenylcyclopropyl]but-3-en-2-ol?
The canonical SMILES for (2R)-2-[(1S)-2,2-diphenylcyclopropyl]but-3-en-2-ol is C=C[C@@](C)(O)[C@H]1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-[(1S)-2,2-diphenylcyclopropyl]but-3-en-2-ol?
The InChIKey is XPTIMACVGAOVEX-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H20O/c1-3-18(2,20)17-14-19(17,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h3-13,17,20H,1,14H2,2H3/t17-,18-/m1/s1.
What are the key properties of (2R)-2-[(1S)-2,2-diphenylcyclopropyl]but-3-en-2-ol?
(2R)-2-[(1S)-2,2-diphenylcyclopropyl]but-3-en-2-ol has a molecular weight of 264.37 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-2,2-diphenylcyclopropyl]but-3-en-2-ol is sourced from PubChem (CID 135015191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).