4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-ol

C12H13ClO3 — CID 115010479

IUPAC4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-ol
SMILESCC1Cc2c(Cl)c3c(c(O)c2O1)CC(C)O3
InChIInChI=1S/C12H13ClO3/c1-5-3-7-9(13)11-8(4-6(2)15-11)10(14)12(7)16-5/h5-6,14H,3-4H2,1-2H3
InChIKeyNKQZHDHRMLGTRQ-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.69
Rot. Bonds

About 4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-ol

4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-ol (PubChem CID 115010479) has the molecular formula C12H13ClO3 and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-ol.

Molecular Properties

Compound Name4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-ol
PubChem CID115010479
Molecular FormulaC12H13ClO3
Molecular Weight240.69 g/mol
Exact Mass240.06
IUPAC Name4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-ol
SMILESCC1Cc2c(Cl)c3c(c(O)c2O1)CC(C)O3
InChIInChI=1S/C12H13ClO3/c1-5-3-7-9(13)11-8(4-6(2)15-11)10(14)12(7)16-5/h5-6,14H,3-4H2,1-2H3
InChIKeyNKQZHDHRMLGTRQ-UHFFFAOYSA-N
XLogP2.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-ol with MolForge

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Related Compounds

2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
CID 115010473
1-(4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid
CID 117493605
4-(4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butanoic acid
CID 117495627
3-(4-hydroxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butanal
CID 117442552
3-amino-3-(4-hydroxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid
CID 117473267
5,7-dichloro-6,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one
CID 101281145
4-bromo-7-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-carbaldehyde
CID 83901384
2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 117358659
methyl 4,9-dihydroxy-2-methyl-5,8-dioxo-2,3-dihydrobenzo[f][1]benzofuran-7-carboxylate
CID 71436981
1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 117387211
4-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 139656076
1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanone
CID 83898955

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-ol?
The IUPAC name of 4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-ol (CID 115010479) is 4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-ol.
What is the SMILES notation for 4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-ol?
The canonical SMILES for 4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-ol is CC1Cc2c(Cl)c3c(c(O)c2O1)CC(C)O3.
What is the InChIKey of 4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-ol?
The InChIKey is NKQZHDHRMLGTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO3/c1-5-3-7-9(13)11-8(4-6(2)15-11)10(14)12(7)16-5/h5-6,14H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-ol?
4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-ol has a molecular weight of 240.69 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-ol is sourced from PubChem (CID 115010479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).