1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylcyclobutan-1-ol

C14H17ClO2 — CID 103564668

IUPAC1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylcyclobutan-1-ol
SMILESCC1CC(O)(Cc2cc(Cl)cc3c2OCC3)C1
InChIInChI=1S/C14H17ClO2/c1-9-6-14(16,7-9)8-11-5-12(15)4-10-2-3-17-13(10)11/h4-5,9,16H,2-3,6-8H2,1H3
InChIKeyMUGFAXWVCBPJTB-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.98
Rot. Bonds2

About 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylcyclobutan-1-ol

1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylcyclobutan-1-ol (PubChem CID 103564668) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylcyclobutan-1-ol.

Molecular Properties

Compound Name1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylcyclobutan-1-ol
PubChem CID103564668
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylcyclobutan-1-ol
SMILESCC1CC(O)(Cc2cc(Cl)cc3c2OCC3)C1
InChIInChI=1S/C14H17ClO2/c1-9-6-14(16,7-9)8-11-5-12(15)4-10-2-3-17-13(10)11/h4-5,9,16H,2-3,6-8H2,1H3
InChIKeyMUGFAXWVCBPJTB-UHFFFAOYSA-N
XLogP2.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114534332
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,3,3-trimethylbutan-2-ol
CID 113403469
(3R,4S)-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidine-3,4-diol
CID 113383744
[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methanol
CID 113403784
N'-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110032466
1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-ol
CID 114502371
1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine
CID 105499911
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol
CID 117354002
1-(6-azaspiro[2.5]octan-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 116573104
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 105031407
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)but-3-en-2-one
CID 103453608

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylcyclobutan-1-ol?
The IUPAC name of 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylcyclobutan-1-ol (CID 103564668) is 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylcyclobutan-1-ol.
What is the SMILES notation for 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylcyclobutan-1-ol?
The canonical SMILES for 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylcyclobutan-1-ol is CC1CC(O)(Cc2cc(Cl)cc3c2OCC3)C1.
What is the InChIKey of 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylcyclobutan-1-ol?
The InChIKey is MUGFAXWVCBPJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-9-6-14(16,7-9)8-11-5-12(15)4-10-2-3-17-13(10)11/h4-5,9,16H,2-3,6-8H2,1H3.
What are the key properties of 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylcyclobutan-1-ol?
1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylcyclobutan-1-ol has a molecular weight of 252.74 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylcyclobutan-1-ol is sourced from PubChem (CID 103564668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).