2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol

C12H15ClO3 — CID 117358659

IUPAC2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
SMILESCOc1cc(CCO)c(Cl)c2c1OC(C)C2
InChIInChI=1S/C12H15ClO3/c1-7-5-9-11(13)8(3-4-14)6-10(15-2)12(9)16-7/h6-7,14H,3-5H2,1-2H3
InChIKeyGEBNOZCEGVJVQM-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.21
Rot. Bonds3

About 2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol

2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol (PubChem CID 117358659) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
PubChem CID117358659
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
SMILESCOc1cc(CCO)c(Cl)c2c1OC(C)C2
InChIInChI=1S/C12H15ClO3/c1-7-5-9-11(13)8(3-4-14)6-10(15-2)12(9)16-7/h6-7,14H,3-5H2,1-2H3
InChIKeyGEBNOZCEGVJVQM-UHFFFAOYSA-N
XLogP2.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

1-[(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine
CID 117478246
1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 117387211
N-[(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
CID 117464928
2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 117452458
3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 117358684
5-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine
CID 117450688
1-(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 117458829
(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 117305849
4-chloro-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-ol
CID 115010479
2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol
CID 142077480
2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 117434905
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 2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol?
The IUPAC name of 2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol (CID 117358659) is 2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol?
The canonical SMILES for 2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol is COc1cc(CCO)c(Cl)c2c1OC(C)C2.
What is the InChIKey of 2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol?
The InChIKey is GEBNOZCEGVJVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-7-5-9-11(13)8(3-4-14)6-10(15-2)12(9)16-7/h6-7,14H,3-5H2,1-2H3.
What are the key properties of 2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol?
2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol has a molecular weight of 242.70 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol is sourced from PubChem (CID 117358659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).