(2S,3R)-2-cyclopropyl-3-phenylpent-4-en-2-ol

C14H18O — CID 122546090

IUPAC(2S,3R)-2-cyclopropyl-3-phenylpent-4-en-2-ol
SMILESC=C[C@H](c1ccccc1)[C@@](C)(O)C1CC1
InChIInChI=1S/C14H18O/c1-3-13(11-7-5-4-6-8-11)14(2,15)12-9-10-12/h3-8,12-13,15H,1,9-10H2,2H3/t13-,14+/m1/s1
InChIKeyXXWQBNNLAJZAIG-KGLIPLIRSA-N
MW202.30 g/mol
LogP3.12
Rot. Bonds4

About (2S,3R)-2-cyclopropyl-3-phenylpent-4-en-2-ol

(2S,3R)-2-cyclopropyl-3-phenylpent-4-en-2-ol (PubChem CID 122546090) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S,3R)-2-cyclopropyl-3-phenylpent-4-en-2-ol.

Molecular Properties

Compound Name(2S,3R)-2-cyclopropyl-3-phenylpent-4-en-2-ol
PubChem CID122546090
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(2S,3R)-2-cyclopropyl-3-phenylpent-4-en-2-ol
SMILESC=C[C@H](c1ccccc1)[C@@](C)(O)C1CC1
InChIInChI=1S/C14H18O/c1-3-13(11-7-5-4-6-8-11)14(2,15)12-9-10-12/h3-8,12-13,15H,1,9-10H2,2H3/t13-,14+/m1/s1
InChIKeyXXWQBNNLAJZAIG-KGLIPLIRSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.12
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

(3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol
CID 102279289
(2S,3S)-2,3-diphenylpent-4-en-2-ol
CID 11651629
1,1,1-trichlorobut-3-en-2-ylbenzene
CID 71393559
ethyl 2-hydroxy-2-methyl-3-phenylpent-4-enoate
CID 11107268
(2S,3R)-2-(3,4-dihydro-2H-pyran-5-yl)-1,1,1-trifluoro-3-phenylpent-4-en-2-ol
CID 139044958
2-hydroxy-1,2,3-triphenylpent-4-en-1-one
CID 11370873
(2R,3R)-2-hydroxy-1,2,3-triphenylpent-4-en-1-one
CID 134955660
(1,1-difluoro-2-phenylbut-3-enyl)sulfanylbenzene
CID 102528016
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
2-amino-2-cyclopropyl-N-[(1R)-1-phenylethyl]propanamide
CID 55252127
N-(2,2-dimethyl-3,4-diphenylhex-5-en-3-yl)benzamide
CID 175544554
(2S)-2-methyl-2-[(1S)-1-phenylethyl]but-3-enoic acid
CID 101139802

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-cyclopropyl-3-phenylpent-4-en-2-ol?
The IUPAC name of (2S,3R)-2-cyclopropyl-3-phenylpent-4-en-2-ol (CID 122546090) is (2S,3R)-2-cyclopropyl-3-phenylpent-4-en-2-ol.
What is the SMILES notation for (2S,3R)-2-cyclopropyl-3-phenylpent-4-en-2-ol?
The canonical SMILES for (2S,3R)-2-cyclopropyl-3-phenylpent-4-en-2-ol is C=C[C@H](c1ccccc1)[C@@](C)(O)C1CC1.
What is the InChIKey of (2S,3R)-2-cyclopropyl-3-phenylpent-4-en-2-ol?
The InChIKey is XXWQBNNLAJZAIG-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H18O/c1-3-13(11-7-5-4-6-8-11)14(2,15)12-9-10-12/h3-8,12-13,15H,1,9-10H2,2H3/t13-,14+/m1/s1.
What are the key properties of (2S,3R)-2-cyclopropyl-3-phenylpent-4-en-2-ol?
(2S,3R)-2-cyclopropyl-3-phenylpent-4-en-2-ol has a molecular weight of 202.30 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-cyclopropyl-3-phenylpent-4-en-2-ol is sourced from PubChem (CID 122546090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).