3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptan-1-ol

C17H24O2 — CID 66394093

IUPAC3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptan-1-ol
SMILESCc1ccc2c(c1)CC(CC1CCCCC(O)C1)O2
InChIInChI=1S/C17H24O2/c1-12-6-7-17-14(8-12)11-16(19-17)10-13-4-2-3-5-15(18)9-13/h6-8,13,15-16,18H,2-5,9-11H2,1H3
InChIKeyAHNHAFNLCXVTBY-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.63
Rot. Bonds2

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

3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptan-1-ol (PubChem CID 66394093) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptan-1-ol
PubChem CID66394093
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptan-1-ol
SMILESCc1ccc2c(c1)CC(CC1CCCCC(O)C1)O2
InChIInChI=1S/C17H24O2/c1-12-6-7-17-14(8-12)11-16(19-17)10-13-4-2-3-5-15(18)9-13/h6-8,13,15-16,18H,2-5,9-11H2,1H3
InChIKeyAHNHAFNLCXVTBY-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptan-1-ol?
The IUPAC name of 3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptan-1-ol (CID 66394093) is 3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptan-1-ol?
The canonical SMILES for 3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptan-1-ol is Cc1ccc2c(c1)CC(CC1CCCCC(O)C1)O2.
What is the InChIKey of 3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptan-1-ol?
The InChIKey is AHNHAFNLCXVTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-12-6-7-17-14(8-12)11-16(19-17)10-13-4-2-3-5-15(18)9-13/h6-8,13,15-16,18H,2-5,9-11H2,1H3.
What are the key properties of 3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptan-1-ol?
3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 66394093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).