[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanol

C15H14O3 — CID 144823127

IUPAC[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanol
SMILESOCc1ccc2c(c1)COc1cc(CO)ccc1-2
InChIInChI=1S/C15H14O3/c16-7-10-1-3-13-12(5-10)9-18-15-6-11(8-17)2-4-14(13)15/h1-6,16-17H,7-9H2
InChIKeyDAZWNTFOSUPGAV-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.23
Rot. Bonds2

About [3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanol

[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanol (PubChem CID 144823127) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is [3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanol
PubChem CID144823127
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanol
SMILESOCc1ccc2c(c1)COc1cc(CO)ccc1-2
InChIInChI=1S/C15H14O3/c16-7-10-1-3-13-12(5-10)9-18-15-6-11(8-17)2-4-14(13)15/h1-6,16-17H,7-9H2
InChIKeyDAZWNTFOSUPGAV-UHFFFAOYSA-N
XLogP2.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanol (CID 144823127) is [3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanol is OCc1ccc2c(c1)COc1cc(CO)ccc1-2.
What is the InChIKey of [3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanol?
The InChIKey is DAZWNTFOSUPGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-7-10-1-3-13-12(5-10)9-18-15-6-11(8-17)2-4-14(13)15/h1-6,16-17H,7-9H2.
What are the key properties of [3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanol?
[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanol has a molecular weight of 242.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanol is sourced from PubChem (CID 144823127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).