[(1S,2S)-2-iodo-2-(5-phenylpent-4-ynyl)cyclopropyl]methanol

C15H17IO — CID 11067763

IUPAC[(1S,2S)-2-iodo-2-(5-phenylpent-4-ynyl)cyclopropyl]methanol
SMILESOC[C@@H]1C[C@@]1(I)CCCC#Cc1ccccc1
InChIInChI=1S/C15H17IO/c16-15(11-14(15)12-17)10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,14,17H,2,6,10-12H2/t14-,15-/m0/s1
InChIKeySCVLMQZUIAKSQV-GJZGRUSLSA-N
MW340.20 g/mol
LogP3.39
Rot. Bonds4

About [(1S,2S)-2-iodo-2-(5-phenylpent-4-ynyl)cyclopropyl]methanol

[(1S,2S)-2-iodo-2-(5-phenylpent-4-ynyl)cyclopropyl]methanol (PubChem CID 11067763) has the molecular formula C15H17IO and a molecular weight of 340.20 g/mol. Its IUPAC name is [(1S,2S)-2-iodo-2-(5-phenylpent-4-ynyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-2-iodo-2-(5-phenylpent-4-ynyl)cyclopropyl]methanol
PubChem CID11067763
Molecular FormulaC15H17IO
Molecular Weight340.20 g/mol
Exact Mass340.03
IUPAC Name[(1S,2S)-2-iodo-2-(5-phenylpent-4-ynyl)cyclopropyl]methanol
SMILESOC[C@@H]1C[C@@]1(I)CCCC#Cc1ccccc1
InChIInChI=1S/C15H17IO/c16-15(11-14(15)12-17)10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,14,17H,2,6,10-12H2/t14-,15-/m0/s1
InChIKeySCVLMQZUIAKSQV-GJZGRUSLSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-iodo-2-(5-phenylpent-4-ynyl)cyclopropyl]methanol?
The IUPAC name of [(1S,2S)-2-iodo-2-(5-phenylpent-4-ynyl)cyclopropyl]methanol (CID 11067763) is [(1S,2S)-2-iodo-2-(5-phenylpent-4-ynyl)cyclopropyl]methanol.
What is the SMILES notation for [(1S,2S)-2-iodo-2-(5-phenylpent-4-ynyl)cyclopropyl]methanol?
The canonical SMILES for [(1S,2S)-2-iodo-2-(5-phenylpent-4-ynyl)cyclopropyl]methanol is OC[C@@H]1C[C@@]1(I)CCCC#Cc1ccccc1.
What is the InChIKey of [(1S,2S)-2-iodo-2-(5-phenylpent-4-ynyl)cyclopropyl]methanol?
The InChIKey is SCVLMQZUIAKSQV-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H17IO/c16-15(11-14(15)12-17)10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,14,17H,2,6,10-12H2/t14-,15-/m0/s1.
What are the key properties of [(1S,2S)-2-iodo-2-(5-phenylpent-4-ynyl)cyclopropyl]methanol?
[(1S,2S)-2-iodo-2-(5-phenylpent-4-ynyl)cyclopropyl]methanol has a molecular weight of 340.20 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-iodo-2-(5-phenylpent-4-ynyl)cyclopropyl]methanol is sourced from PubChem (CID 11067763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).