8-chloro-5-ethoxy-2-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran

C14H17ClO2 — CID 61384799

IUPAC8-chloro-5-ethoxy-2-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran
SMILESCCOc1cc2c(c3c1CCC3Cl)OC(C)C2
InChIInChI=1S/C14H17ClO2/c1-3-16-12-7-9-6-8(2)17-14(9)13-10(12)4-5-11(13)15/h7-8,11H,3-6H2,1-2H3
InChIKeyCYJQSNZFWOUSAZ-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.63
Rot. Bonds2

About 8-chloro-5-ethoxy-2-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran

8-chloro-5-ethoxy-2-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran (PubChem CID 61384799) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 8-chloro-5-ethoxy-2-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran.

Molecular Properties

Compound Name8-chloro-5-ethoxy-2-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran
PubChem CID61384799
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name8-chloro-5-ethoxy-2-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran
SMILESCCOc1cc2c(c3c1CCC3Cl)OC(C)C2
InChIInChI=1S/C14H17ClO2/c1-3-16-12-7-9-6-8(2)17-14(9)13-10(12)4-5-11(13)15/h7-8,11H,3-6H2,1-2H3
InChIKeyCYJQSNZFWOUSAZ-UHFFFAOYSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-chloro-5-ethoxy-2-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran with MolForge

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Related Compounds

5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde
CID 47002539
[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium
CID 7129379
4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine
CID 63156343
(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
CID 7874317
5-cyclopropyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazole-3-carboxamide
CID 24668257
2-amino-1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanol
CID 43209051
4-(chloromethyl)-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole
CID 43322645
4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]cyclohexan-1-ol
CID 110878800
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-methylcyclobutan-1-amine
CID 115671604
cyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
CID 63893850
(NZ)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylidene]hydroxylamine
CID 94671581
2-cyclopentyl-1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanol
CID 65150918

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-ethoxy-2-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran?
The IUPAC name of 8-chloro-5-ethoxy-2-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran (CID 61384799) is 8-chloro-5-ethoxy-2-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran.
What is the SMILES notation for 8-chloro-5-ethoxy-2-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran?
The canonical SMILES for 8-chloro-5-ethoxy-2-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran is CCOc1cc2c(c3c1CCC3Cl)OC(C)C2.
What is the InChIKey of 8-chloro-5-ethoxy-2-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran?
The InChIKey is CYJQSNZFWOUSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-3-16-12-7-9-6-8(2)17-14(9)13-10(12)4-5-11(13)15/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 8-chloro-5-ethoxy-2-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran?
8-chloro-5-ethoxy-2-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran has a molecular weight of 252.74 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-ethoxy-2-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1]benzofuran is sourced from PubChem (CID 61384799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).