2,3-dihydro-1-benzofuran-5-yl-(1-methoxy-4-methylcyclohexyl)methanone

C17H22O3 — CID 116749158

IUPAC2,3-dihydro-1-benzofuran-5-yl-(1-methoxy-4-methylcyclohexyl)methanone
SMILESCOC1(C(=O)c2ccc3c(c2)CCO3)CCC(C)CC1
InChIInChI=1S/C17H22O3/c1-12-5-8-17(19-2,9-6-12)16(18)14-3-4-15-13(11-14)7-10-20-15/h3-4,11-12H,5-10H2,1-2H3
InChIKeyPBJAOFZQJGFQDO-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.40
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-5-yl-(1-methoxy-4-methylcyclohexyl)methanone

2,3-dihydro-1-benzofuran-5-yl-(1-methoxy-4-methylcyclohexyl)methanone (PubChem CID 116749158) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(1-methoxy-4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(1-methoxy-4-methylcyclohexyl)methanone
PubChem CID116749158
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(1-methoxy-4-methylcyclohexyl)methanone
SMILESCOC1(C(=O)c2ccc3c(c2)CCO3)CCC(C)CC1
InChIInChI=1S/C17H22O3/c1-12-5-8-17(19-2,9-6-12)16(18)14-3-4-15-13(11-14)7-10-20-15/h3-4,11-12H,5-10H2,1-2H3
InChIKeyPBJAOFZQJGFQDO-UHFFFAOYSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylate
CID 116922177
2,3-dihydro-1-benzofuran-5-yl-(1-ethoxycyclohexyl)methanone
CID 116748355
(1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone
CID 116749281
(4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749233
2,3-dihydro-1-benzofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone
CID 104542328
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one
CID 103458963
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
(2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate
CID 47160994
1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one
CID 103446306

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(1-methoxy-4-methylcyclohexyl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(1-methoxy-4-methylcyclohexyl)methanone (CID 116749158) is 2,3-dihydro-1-benzofuran-5-yl-(1-methoxy-4-methylcyclohexyl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(1-methoxy-4-methylcyclohexyl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(1-methoxy-4-methylcyclohexyl)methanone is COC1(C(=O)c2ccc3c(c2)CCO3)CCC(C)CC1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(1-methoxy-4-methylcyclohexyl)methanone?
The InChIKey is PBJAOFZQJGFQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-12-5-8-17(19-2,9-6-12)16(18)14-3-4-15-13(11-14)7-10-20-15/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(1-methoxy-4-methylcyclohexyl)methanone?
2,3-dihydro-1-benzofuran-5-yl-(1-methoxy-4-methylcyclohexyl)methanone has a molecular weight of 274.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-(1-methoxy-4-methylcyclohexyl)methanone is sourced from PubChem (CID 116749158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).