3,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)cyclopentan-1-ol

C16H20O2 — CID 114724378

IUPAC3,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)cyclopentan-1-ol
SMILESCc1ccc2oc(C3(O)CCC(C)(C)C3)cc2c1
InChIInChI=1S/C16H20O2/c1-11-4-5-13-12(8-11)9-14(18-13)16(17)7-6-15(2,3)10-16/h4-5,8-9,17H,6-7,10H2,1-3H3
InChIKeyXBHINKNGJXSKEB-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.14
Rot. Bonds1

About 3,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)cyclopentan-1-ol

3,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)cyclopentan-1-ol (PubChem CID 114724378) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)cyclopentan-1-ol
PubChem CID114724378
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name3,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)cyclopentan-1-ol
SMILESCc1ccc2oc(C3(O)CCC(C)(C)C3)cc2c1
InChIInChI=1S/C16H20O2/c1-11-4-5-13-12(8-11)9-14(18-13)16(17)7-6-15(2,3)10-16/h4-5,8-9,17H,6-7,10H2,1-3H3
InChIKeyXBHINKNGJXSKEB-UHFFFAOYSA-N
XLogP4.14
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-4,4-dimethylcycloheptan-1-ol
CID 114723992
3-methoxy-1-(5-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 106874108
1-(5-methyl-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 114723920
1-(5-methyl-1-benzofuran-2-yl)-2-propylcyclopropan-1-ol
CID 79332367
1-(5-fluoro-1-benzofuran-2-yl)-2,2-dimethylcyclopentan-1-ol
CID 114724210
(4-hydroxy-4-methylazepan-1-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 107406227
(5-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methanol
CID 114727016
(1-methoxycyclobutyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114726107
(2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 107192952
4-ethyl-1-(5-fluoro-1-benzofuran-2-yl)cycloheptan-1-ol
CID 114723986
4-(5-fluoro-1-benzofuran-2-yl)-1-propan-2-ylazepan-4-ol
CID 114723969
N,5-dimethyl-1-benzofuran-2-amine
CID 123740126

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)cyclopentan-1-ol?
The IUPAC name of 3,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)cyclopentan-1-ol (CID 114724378) is 3,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)cyclopentan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)cyclopentan-1-ol is Cc1ccc2oc(C3(O)CCC(C)(C)C3)cc2c1.
What is the InChIKey of 3,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)cyclopentan-1-ol?
The InChIKey is XBHINKNGJXSKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-11-4-5-13-12(8-11)9-14(18-13)16(17)7-6-15(2,3)10-16/h4-5,8-9,17H,6-7,10H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)cyclopentan-1-ol?
3,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)cyclopentan-1-ol has a molecular weight of 244.33 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(5-methyl-1-benzofuran-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 114724378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).