[(1R,2S)-2-chloro-1-ethoxycyclopropyl]benzene

C11H13ClO — CID 130756421

IUPAC[(1R,2S)-2-chloro-1-ethoxycyclopropyl]benzene
SMILESCCO[C@@]1(c2ccccc2)C[C@@H]1Cl
InChIInChI=1S/C11H13ClO/c1-2-13-11(8-10(11)12)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/t10-,11+/m0/s1
InChIKeySJAIVWHGTVSDQB-WDEREUQCSA-N
MW196.68 g/mol
LogP2.93
Rot. Bonds3

About [(1R,2S)-2-chloro-1-ethoxycyclopropyl]benzene

[(1R,2S)-2-chloro-1-ethoxycyclopropyl]benzene (PubChem CID 130756421) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is [(1R,2S)-2-chloro-1-ethoxycyclopropyl]benzene.

Molecular Properties

Compound Name[(1R,2S)-2-chloro-1-ethoxycyclopropyl]benzene
PubChem CID130756421
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name[(1R,2S)-2-chloro-1-ethoxycyclopropyl]benzene
SMILESCCO[C@@]1(c2ccccc2)C[C@@H]1Cl
InChIInChI=1S/C11H13ClO/c1-2-13-11(8-10(11)12)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/t10-,11+/m0/s1
InChIKeySJAIVWHGTVSDQB-WDEREUQCSA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-chloro-1-ethoxycyclopropyl]benzene?
The IUPAC name of [(1R,2S)-2-chloro-1-ethoxycyclopropyl]benzene (CID 130756421) is [(1R,2S)-2-chloro-1-ethoxycyclopropyl]benzene.
What is the SMILES notation for [(1R,2S)-2-chloro-1-ethoxycyclopropyl]benzene?
The canonical SMILES for [(1R,2S)-2-chloro-1-ethoxycyclopropyl]benzene is CCO[C@@]1(c2ccccc2)C[C@@H]1Cl.
What is the InChIKey of [(1R,2S)-2-chloro-1-ethoxycyclopropyl]benzene?
The InChIKey is SJAIVWHGTVSDQB-WDEREUQCSA-N. The full InChI is InChI=1S/C11H13ClO/c1-2-13-11(8-10(11)12)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/t10-,11+/m0/s1.
What are the key properties of [(1R,2S)-2-chloro-1-ethoxycyclopropyl]benzene?
[(1R,2S)-2-chloro-1-ethoxycyclopropyl]benzene has a molecular weight of 196.68 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-chloro-1-ethoxycyclopropyl]benzene is sourced from PubChem (CID 130756421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).