(1S)-1-(2-iodocyclopenta-2,4-dien-1-yl)ethanol

C7H9IO — CID 87894089

IUPAC(1S)-1-(2-iodocyclopenta-2,4-dien-1-yl)ethanol
SMILESC[C@H](O)C1C=CC=C1I
InChIInChI=1S/C7H9IO/c1-5(9)6-3-2-4-7(6)8/h2-6,9H,1H3/t5-,6?/m0/s1
InChIKeyPSVLSFIQAOEWQK-ZBHICJROSA-N
MW236.05 g/mol
LogP1.87
Rot. Bonds1

About (1S)-1-(2-iodocyclopenta-2,4-dien-1-yl)ethanol

(1S)-1-(2-iodocyclopenta-2,4-dien-1-yl)ethanol (PubChem CID 87894089) has the molecular formula C7H9IO and a molecular weight of 236.05 g/mol. Its IUPAC name is (1S)-1-(2-iodocyclopenta-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2-iodocyclopenta-2,4-dien-1-yl)ethanol
PubChem CID87894089
Molecular FormulaC7H9IO
Molecular Weight236.05 g/mol
Exact Mass235.97
IUPAC Name(1S)-1-(2-iodocyclopenta-2,4-dien-1-yl)ethanol
SMILESC[C@H](O)C1C=CC=C1I
InChIInChI=1S/C7H9IO/c1-5(9)6-3-2-4-7(6)8/h2-6,9H,1H3/t5-,6?/m0/s1
InChIKeyPSVLSFIQAOEWQK-ZBHICJROSA-N
XLogP1.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.05
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[2-(4-methylphenyl)sulfanylcyclopenta-2,4-dien-1-yl]ethanol
CID 135001261
(1S)-1-[2-[(R)-dimethylamino(phenyl)methyl]cyclopenta-2,4-dien-1-yl]ethanol
CID 101152941
1,5-diiodo-6-methylcyclohexa-1,3-diene
CID 155148559
5-[methoxy-(2-methylcyclopenta-2,4-dien-1-yl)methyl]-1-methylcyclopenta-1,3-diene
CID 175708631
(1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
CID 102187363
(5-propan-2-ylcyclopenta-1,3-dien-1-yl)benzene
CID 175483220
1,5-dimethyl-4a,8a-dihydronaphthalene
CID 15555373
1-(6-methyl-1H-inden-1-yl)ethanol
CID 90078898
[(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene
CID 141345784
holmium;tris(propan-2-ol)
CID 102601028
(S)-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-phenylmethanol
CID 100992874
2-bromo-3-methyl-1-propan-2-yl-2H-pyridine
CID 151515419

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-iodocyclopenta-2,4-dien-1-yl)ethanol?
The IUPAC name of (1S)-1-(2-iodocyclopenta-2,4-dien-1-yl)ethanol (CID 87894089) is (1S)-1-(2-iodocyclopenta-2,4-dien-1-yl)ethanol.
What is the SMILES notation for (1S)-1-(2-iodocyclopenta-2,4-dien-1-yl)ethanol?
The canonical SMILES for (1S)-1-(2-iodocyclopenta-2,4-dien-1-yl)ethanol is C[C@H](O)C1C=CC=C1I.
What is the InChIKey of (1S)-1-(2-iodocyclopenta-2,4-dien-1-yl)ethanol?
The InChIKey is PSVLSFIQAOEWQK-ZBHICJROSA-N. The full InChI is InChI=1S/C7H9IO/c1-5(9)6-3-2-4-7(6)8/h2-6,9H,1H3/t5-,6?/m0/s1.
What are the key properties of (1S)-1-(2-iodocyclopenta-2,4-dien-1-yl)ethanol?
(1S)-1-(2-iodocyclopenta-2,4-dien-1-yl)ethanol has a molecular weight of 236.05 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-iodocyclopenta-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 87894089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).