11-chloro-4,6-dideuterio-3-methoxynaphtho[2,3-b][1]benzofuran

C17H11ClO2 — CID 171588874

IUPAC11-chloro-4,6-dideuterio-3-methoxynaphtho[2,3-b][1]benzofuran
SMILES[2H]c1c(OC)ccc2c1oc1c([2H])c3ccccc3c(Cl)c12
InChIInChI=1S/C17H11ClO2/c1-19-11-6-7-13-14(9-11)20-15-8-10-4-2-3-5-12(10)17(18)16(13)15/h2-9H,1H3/i8D,9D
InChIKeyJGQLLBHJTRRQHA-XETGXLELSA-N
MW284.74 g/mol
LogP5.40
Rot. Bonds1

About 11-chloro-4,6-dideuterio-3-methoxynaphtho[2,3-b][1]benzofuran

11-chloro-4,6-dideuterio-3-methoxynaphtho[2,3-b][1]benzofuran (PubChem CID 171588874) has the molecular formula C17H11ClO2 and a molecular weight of 284.74 g/mol. Its IUPAC name is 11-chloro-4,6-dideuterio-3-methoxynaphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name11-chloro-4,6-dideuterio-3-methoxynaphtho[2,3-b][1]benzofuran
PubChem CID171588874
Molecular FormulaC17H11ClO2
Molecular Weight284.74 g/mol
Exact Mass284.06
IUPAC Name11-chloro-4,6-dideuterio-3-methoxynaphtho[2,3-b][1]benzofuran
SMILES[2H]c1c(OC)ccc2c1oc1c([2H])c3ccccc3c(Cl)c12
InChIInChI=1S/C17H11ClO2/c1-19-11-6-7-13-14(9-11)20-15-8-10-4-2-3-5-12(10)17(18)16(13)15/h2-9H,1H3/i8D,9D
InChIKeyJGQLLBHJTRRQHA-XETGXLELSA-N
XLogP5.40
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.74
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-11-chloronaphtho[2,3-b][1]benzofuran
CID 163787145
3-chloro-5-(4-methoxyphenyl)naphtho[2,1-b][1]benzofuran
CID 177459326
5-chloro-6-(4-methoxyphenyl)naphtho[1,2-b][1]benzofuran
CID 102287044
9-chloro-2-methoxyanthracene
CID 139968553
9-methoxy-6-phenylnaphtho[2,1-b][1]benzofuran
CID 155128175
1-bromo-11-chloro-9-methoxynaphtho[2,3-b][1]benzofuran
CID 162733199
8-methoxynaphtho[1,2-c]chromen-5-one
CID 118617567
7-methoxy-4-oxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),5(10),6,8,12,15,17,19,21-decaen-3-one
CID 118617487
N-(4-methoxyphenyl)dibenzofuran-1-carboxamide
CID 134956238
anthra[2,1-b][1]benzofuran
CID 59403890
5,16-dimethoxy-9,20-dioxaheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10,12,14(28),15,17,19(27),21,23,25-tridecaene
CID 53382046
2-chloro-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 14690188

Frequently Asked Questions

What is the IUPAC name of 11-chloro-4,6-dideuterio-3-methoxynaphtho[2,3-b][1]benzofuran?
The IUPAC name of 11-chloro-4,6-dideuterio-3-methoxynaphtho[2,3-b][1]benzofuran (CID 171588874) is 11-chloro-4,6-dideuterio-3-methoxynaphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 11-chloro-4,6-dideuterio-3-methoxynaphtho[2,3-b][1]benzofuran?
The canonical SMILES for 11-chloro-4,6-dideuterio-3-methoxynaphtho[2,3-b][1]benzofuran is [2H]c1c(OC)ccc2c1oc1c([2H])c3ccccc3c(Cl)c12.
What is the InChIKey of 11-chloro-4,6-dideuterio-3-methoxynaphtho[2,3-b][1]benzofuran?
The InChIKey is JGQLLBHJTRRQHA-XETGXLELSA-N. The full InChI is InChI=1S/C17H11ClO2/c1-19-11-6-7-13-14(9-11)20-15-8-10-4-2-3-5-12(10)17(18)16(13)15/h2-9H,1H3/i8D,9D.
What are the key properties of 11-chloro-4,6-dideuterio-3-methoxynaphtho[2,3-b][1]benzofuran?
11-chloro-4,6-dideuterio-3-methoxynaphtho[2,3-b][1]benzofuran has a molecular weight of 284.74 g/mol, XLogP of 5.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-4,6-dideuterio-3-methoxynaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 171588874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).