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

C12H15ClO3 — CID 117358684

IUPAC3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
SMILESCOc1cc(CCCO)c(Cl)c2c1OCC2
InChIInChI=1S/C12H15ClO3/c1-15-10-7-8(3-2-5-14)11(13)9-4-6-16-12(9)10/h7,14H,2-6H2,1H3
InChIKeyOXWZFQRQPANWNR-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.21
Rot. Bonds4

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

3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol (PubChem CID 117358684) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
PubChem CID117358684
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
SMILESCOc1cc(CCCO)c(Cl)c2c1OCC2
InChIInChI=1S/C12H15ClO3/c1-15-10-7-8(3-2-5-14)11(13)9-4-6-16-12(9)10/h7,14H,2-6H2,1H3
InChIKeyOXWZFQRQPANWNR-UHFFFAOYSA-N
XLogP2.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 117305849
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)propan-2-ol
CID 117358761
2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 117434905
1-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine
CID 117454644
1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 117327727
3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 117461046
2-[(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117452538
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
2-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 117358659
3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117311669

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The IUPAC name of 3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol (CID 117358684) is 3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol.
What is the SMILES notation for 3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The canonical SMILES for 3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol is COc1cc(CCCO)c(Cl)c2c1OCC2.
What is the InChIKey of 3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The InChIKey is OXWZFQRQPANWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-15-10-7-8(3-2-5-14)11(13)9-4-6-16-12(9)10/h7,14H,2-6H2,1H3.
What are the key properties of 3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol has a molecular weight of 242.70 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol is sourced from PubChem (CID 117358684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).