[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol

C16H16O2 — CID 28946173

IUPAC[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol
SMILESOCc1ccc(Oc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C16H16O2/c17-11-12-4-7-15(8-5-12)18-16-9-6-13-2-1-3-14(13)10-16/h4-10,17H,1-3,11H2
InChIKeyXKCZDTPXELFOLG-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.46
Rot. Bonds3

About [4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol

[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol (PubChem CID 28946173) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is [4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol.

Molecular Properties

Compound Name[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol
PubChem CID28946173
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol
SMILESOCc1ccc(Oc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C16H16O2/c17-11-12-4-7-15(8-5-12)18-16-9-6-13-2-1-3-14(13)10-16/h4-10,17H,1-3,11H2
InChIKeyXKCZDTPXELFOLG-UHFFFAOYSA-N
XLogP3.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol?
The IUPAC name of [4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol (CID 28946173) is [4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol.
What is the SMILES notation for [4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol?
The canonical SMILES for [4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol is OCc1ccc(Oc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of [4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol?
The InChIKey is XKCZDTPXELFOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c17-11-12-4-7-15(8-5-12)18-16-9-6-13-2-1-3-14(13)10-16/h4-10,17H,1-3,11H2.
What are the key properties of [4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol?
[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol has a molecular weight of 240.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol is sourced from PubChem (CID 28946173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).