(3aR,8bR)-5-chloro-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran

C11H9ClO — CID 18601286

IUPAC(3aR,8bR)-5-chloro-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran
SMILESClc1cccc2c1O[C@@H]1CC=C[C@H]21
InChIInChI=1S/C11H9ClO/c12-9-5-1-4-8-7-3-2-6-10(7)13-11(8)9/h1-5,7,10H,6H2/t7-,10-/m1/s1
InChIKeyOMDNLQNEYAIGGQ-GMSGAONNSA-N
MW192.65 g/mol
LogP3.14
Rot. Bonds

About (3aR,8bR)-5-chloro-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran

(3aR,8bR)-5-chloro-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran (PubChem CID 18601286) has the molecular formula C11H9ClO and a molecular weight of 192.65 g/mol. Its IUPAC name is (3aR,8bR)-5-chloro-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran.

Molecular Properties

Compound Name(3aR,8bR)-5-chloro-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran
PubChem CID18601286
Molecular FormulaC11H9ClO
Molecular Weight192.65 g/mol
Exact Mass192.03
IUPAC Name(3aR,8bR)-5-chloro-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran
SMILESClc1cccc2c1O[C@@H]1CC=C[C@H]21
InChIInChI=1S/C11H9ClO/c12-9-5-1-4-8-7-3-2-6-10(7)13-11(8)9/h1-5,7,10H,6H2/t7-,10-/m1/s1
InChIKeyOMDNLQNEYAIGGQ-GMSGAONNSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3aS,8bS)-5,6,8-trimethyl-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran-7-ol
CID 10987691
(3aR,4S,9bR)-6-chloro-4-(2,3-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 6973768
(3aS,4R,9bR)-6-chloro-4-(2,3-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 6550130
(2R)-2-(2-chlorophenyl)-2,3-dihydrofuran
CID 139822422
(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine
CID 40787213
1,4-dichloro-1H-indene
CID 139796127
6,9-dichloro-4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17239520
(3aR,4R,9bR)-6,8,9-trichloro-4-(2,3-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 29125783
(1S,9R)-13-bromo-6-chloro-12-(4-chlorophenoxy)-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 11080170
8-chloro-2-cyclopropyl-3,4-dihydro-2H-1,4-benzoxazine
CID 170730200
8-chloro-3,4-dihydro-2H-chromene-4-thiol
CID 130760391
(1S,2R,6S)-2-phenyl-7-oxabicyclo[4.1.0]hept-3-ene
CID 125487330

Frequently Asked Questions

What is the IUPAC name of (3aR,8bR)-5-chloro-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran?
The IUPAC name of (3aR,8bR)-5-chloro-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran (CID 18601286) is (3aR,8bR)-5-chloro-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran.
What is the SMILES notation for (3aR,8bR)-5-chloro-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran?
The canonical SMILES for (3aR,8bR)-5-chloro-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran is Clc1cccc2c1O[C@@H]1CC=C[C@H]21.
What is the InChIKey of (3aR,8bR)-5-chloro-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran?
The InChIKey is OMDNLQNEYAIGGQ-GMSGAONNSA-N. The full InChI is InChI=1S/C11H9ClO/c12-9-5-1-4-8-7-3-2-6-10(7)13-11(8)9/h1-5,7,10H,6H2/t7-,10-/m1/s1.
What are the key properties of (3aR,8bR)-5-chloro-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran?
(3aR,8bR)-5-chloro-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran has a molecular weight of 192.65 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bR)-5-chloro-3a,8b-dihydro-3H-cyclopenta[b][1]benzofuran is sourced from PubChem (CID 18601286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).