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

C10H11ClO3 — CID 117305849

IUPAC(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESCOc1cc(CO)c(Cl)c2c1OCC2
InChIInChI=1S/C10H11ClO3/c1-13-8-4-6(5-12)9(11)7-2-3-14-10(7)8/h4,12H,2-3,5H2,1H3
InChIKeyZKJKKBYJAXAJCJ-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.78
Rot. Bonds2

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

(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol (PubChem CID 117305849) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is (4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol
PubChem CID117305849
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESCOc1cc(CO)c(Cl)c2c1OCC2
InChIInChI=1S/C10H11ClO3/c1-13-8-4-6(5-12)9(11)7-2-3-14-10(7)8/h4,12H,2-3,5H2,1H3
InChIKeyZKJKKBYJAXAJCJ-UHFFFAOYSA-N
XLogP1.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 117358684
1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
CID 117358761
4-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 117429741
1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine
CID 117454644
2-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117452538
2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 117434905
4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 117275802
2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 117356405
1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 117327727
ethyl 2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoacetate
CID 117458127
3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 117461046
3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propanal
CID 117458946

Frequently Asked Questions

What is the IUPAC name of (4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol?
The IUPAC name of (4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol (CID 117305849) is (4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol?
The canonical SMILES for (4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol is COc1cc(CO)c(Cl)c2c1OCC2.
What is the InChIKey of (4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol?
The InChIKey is ZKJKKBYJAXAJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-13-8-4-6(5-12)9(11)7-2-3-14-10(7)8/h4,12H,2-3,5H2,1H3.
What are the key properties of (4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol?
(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol has a molecular weight of 214.65 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 117305849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).