1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-methoxy-4-methylpentan-1-ol

C17H26O3 — CID 103035139

IUPAC1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C17H26O3/c1-16(2,19-5)10-9-14(18)13-8-6-7-12-11-17(3,4)20-15(12)13/h6-8,14,18H,9-11H2,1-5H3
InChIKeyKXFATRFRBOBFDD-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.64
Rot. Bonds5

About 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-methoxy-4-methylpentan-1-ol

1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-methoxy-4-methylpentan-1-ol (PubChem CID 103035139) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-methoxy-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-methoxy-4-methylpentan-1-ol
PubChem CID103035139
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C17H26O3/c1-16(2,19-5)10-9-14(18)13-8-6-7-12-11-17(3,4)20-15(12)13/h6-8,14,18H,9-11H2,1-5H3
InChIKeyKXFATRFRBOBFDD-UHFFFAOYSA-N
XLogP3.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-ol
CID 64567200
methyl 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxybutanoate
CID 64507467
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028378
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(furan-2-yl)ethanol
CID 83171234
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol
CID 64512125
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)-hydroxymethyl]pentanoic acid
CID 83043675
3-amino-1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol
CID 84698810
methyl 3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-hydroxy-2-methylpropanoate
CID 64512701
1-(2-iodophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103028149
methyl 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propan-2-ylamino)acetate
CID 64507724
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanoic acid
CID 117314266

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-methoxy-4-methylpentan-1-ol?
The IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-methoxy-4-methylpentan-1-ol (CID 103035139) is 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-methoxy-4-methylpentan-1-ol.
What is the SMILES notation for 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-methoxy-4-methylpentan-1-ol?
The canonical SMILES for 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-methoxy-4-methylpentan-1-ol is COC(C)(C)CCC(O)c1cccc2c1OC(C)(C)C2.
What is the InChIKey of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-methoxy-4-methylpentan-1-ol?
The InChIKey is KXFATRFRBOBFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-16(2,19-5)10-9-14(18)13-8-6-7-12-11-17(3,4)20-15(12)13/h6-8,14,18H,9-11H2,1-5H3.
What are the key properties of 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-methoxy-4-methylpentan-1-ol?
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-methoxy-4-methylpentan-1-ol has a molecular weight of 278.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-methoxy-4-methylpentan-1-ol is sourced from PubChem (CID 103035139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).