1-(furan-3-ylmethyl)-6-methyl-2,3-dihydroinden-1-ol

C15H16O2 — CID 83172065

IUPAC1-(furan-3-ylmethyl)-6-methyl-2,3-dihydroinden-1-ol
SMILESCc1ccc2c(c1)C(O)(Cc1ccoc1)CC2
InChIInChI=1S/C15H16O2/c1-11-2-3-13-4-6-15(16,14(13)8-11)9-12-5-7-17-10-12/h2-3,5,7-8,10,16H,4,6,9H2,1H3
InChIKeyLBHLRTGLEDOLEN-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.96
Rot. Bonds2

About 1-(furan-3-ylmethyl)-6-methyl-2,3-dihydroinden-1-ol

1-(furan-3-ylmethyl)-6-methyl-2,3-dihydroinden-1-ol (PubChem CID 83172065) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-6-methyl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-6-methyl-2,3-dihydroinden-1-ol
PubChem CID83172065
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name1-(furan-3-ylmethyl)-6-methyl-2,3-dihydroinden-1-ol
SMILESCc1ccc2c(c1)C(O)(Cc1ccoc1)CC2
InChIInChI=1S/C15H16O2/c1-11-2-3-13-4-6-15(16,14(13)8-11)9-12-5-7-17-10-12/h2-3,5,7-8,10,16H,4,6,9H2,1H3
InChIKeyLBHLRTGLEDOLEN-UHFFFAOYSA-N
XLogP2.96
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-6-methyl-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(furan-3-ylmethyl)-6-methyl-2,3-dihydroinden-1-ol (CID 83172065) is 1-(furan-3-ylmethyl)-6-methyl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(furan-3-ylmethyl)-6-methyl-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(furan-3-ylmethyl)-6-methyl-2,3-dihydroinden-1-ol is Cc1ccc2c(c1)C(O)(Cc1ccoc1)CC2.
What is the InChIKey of 1-(furan-3-ylmethyl)-6-methyl-2,3-dihydroinden-1-ol?
The InChIKey is LBHLRTGLEDOLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-11-2-3-13-4-6-15(16,14(13)8-11)9-12-5-7-17-10-12/h2-3,5,7-8,10,16H,4,6,9H2,1H3.
What are the key properties of 1-(furan-3-ylmethyl)-6-methyl-2,3-dihydroinden-1-ol?
1-(furan-3-ylmethyl)-6-methyl-2,3-dihydroinden-1-ol has a molecular weight of 228.29 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-6-methyl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83172065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).