3-chloro-8-methoxy-5a,6-dihydronaphtho[2,3-b][1]benzofuran

C17H13ClO2 — CID 150256933

IUPAC3-chloro-8-methoxy-5a,6-dihydronaphtho[2,3-b][1]benzofuran
SMILESCOc1ccc2c(c1)CC1Oc3cc(Cl)ccc3C1=C2
InChIInChI=1S/C17H13ClO2/c1-19-13-4-2-10-7-15-14-5-3-12(18)9-17(14)20-16(15)8-11(10)6-13/h2-7,9,16H,8H2,1H3
InChIKeyGATGHRAGVNYKGB-UHFFFAOYSA-N
MW284.74 g/mol
LogP4.21
Rot. Bonds1

About 3-chloro-8-methoxy-5a,6-dihydronaphtho[2,3-b][1]benzofuran

3-chloro-8-methoxy-5a,6-dihydronaphtho[2,3-b][1]benzofuran (PubChem CID 150256933) has the molecular formula C17H13ClO2 and a molecular weight of 284.74 g/mol. Its IUPAC name is 3-chloro-8-methoxy-5a,6-dihydronaphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name3-chloro-8-methoxy-5a,6-dihydronaphtho[2,3-b][1]benzofuran
PubChem CID150256933
Molecular FormulaC17H13ClO2
Molecular Weight284.74 g/mol
Exact Mass284.06
IUPAC Name3-chloro-8-methoxy-5a,6-dihydronaphtho[2,3-b][1]benzofuran
SMILESCOc1ccc2c(c1)CC1Oc3cc(Cl)ccc3C1=C2
InChIInChI=1S/C17H13ClO2/c1-19-13-4-2-10-7-15-14-5-3-12(18)9-17(14)20-16(15)8-11(10)6-13/h2-7,9,16H,8H2,1H3
InChIKeyGATGHRAGVNYKGB-UHFFFAOYSA-N
XLogP4.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloro-4-fluoro-3-methoxyphenyl)-7-methoxy-1,2-dihydronaphthalene
CID 54050552
6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 86216518
7-(2,4-dichlorophenyl)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran
CID 69177577
2-(4-bromo-2-chlorophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672447
2-(4-fluoro-3-methylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672406
(3aR)-7-methoxy-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one
CID 139067197
(4R)-2-(5-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104980319
2-(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
CID 13102406
2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672605
3-chloro-6-methoxy-9H-xanthen-9-ol
CID 21482902
(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 40595579
(4R)-2-(4-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104980296

Frequently Asked Questions

What is the IUPAC name of 3-chloro-8-methoxy-5a,6-dihydronaphtho[2,3-b][1]benzofuran?
The IUPAC name of 3-chloro-8-methoxy-5a,6-dihydronaphtho[2,3-b][1]benzofuran (CID 150256933) is 3-chloro-8-methoxy-5a,6-dihydronaphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 3-chloro-8-methoxy-5a,6-dihydronaphtho[2,3-b][1]benzofuran?
The canonical SMILES for 3-chloro-8-methoxy-5a,6-dihydronaphtho[2,3-b][1]benzofuran is COc1ccc2c(c1)CC1Oc3cc(Cl)ccc3C1=C2.
What is the InChIKey of 3-chloro-8-methoxy-5a,6-dihydronaphtho[2,3-b][1]benzofuran?
The InChIKey is GATGHRAGVNYKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO2/c1-19-13-4-2-10-7-15-14-5-3-12(18)9-17(14)20-16(15)8-11(10)6-13/h2-7,9,16H,8H2,1H3.
What are the key properties of 3-chloro-8-methoxy-5a,6-dihydronaphtho[2,3-b][1]benzofuran?
3-chloro-8-methoxy-5a,6-dihydronaphtho[2,3-b][1]benzofuran has a molecular weight of 284.74 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-methoxy-5a,6-dihydronaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 150256933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).