3-(hydroxymethyl)-6H-benzo[c]chromene-8-carbonitrile

C15H11NO2 — CID 167103423

IUPAC3-(hydroxymethyl)-6H-benzo[c]chromene-8-carbonitrile
SMILESN#Cc1ccc2c(c1)COc1cc(CO)ccc1-2
InChIInChI=1S/C15H11NO2/c16-7-10-1-3-13-12(5-10)9-18-15-6-11(8-17)2-4-14(13)15/h1-6,17H,8-9H2
InChIKeySQDYVARRFPDREP-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.61
Rot. Bonds1

About 3-(hydroxymethyl)-6H-benzo[c]chromene-8-carbonitrile

3-(hydroxymethyl)-6H-benzo[c]chromene-8-carbonitrile (PubChem CID 167103423) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(hydroxymethyl)-6H-benzo[c]chromene-8-carbonitrile.

Molecular Properties

Compound Name3-(hydroxymethyl)-6H-benzo[c]chromene-8-carbonitrile
PubChem CID167103423
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name3-(hydroxymethyl)-6H-benzo[c]chromene-8-carbonitrile
SMILESN#Cc1ccc2c(c1)COc1cc(CO)ccc1-2
InChIInChI=1S/C15H11NO2/c16-7-10-1-3-13-12(5-10)9-18-15-6-11(8-17)2-4-14(13)15/h1-6,17H,8-9H2
InChIKeySQDYVARRFPDREP-UHFFFAOYSA-N
XLogP2.61
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanol
CID 144823127
[3-[[3-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methoxymethyl]phenyl]methanol
CID 144823151
1-oxo-3H-2-benzofuran-5-carbonitrile
CID 821218
(2E)-2-[3-fluoro-8-(hydroxymethyl)-6H-benzo[c][1]benzoxepin-11-ylidene]propanenitrile
CID 86721376
3-[(2S)-2-amino-2-cyanoethyl]-2-fluoro-6H-benzo[c]chromene-8-carbonitrile
CID 170280646
tert-butyl N-[4-[[1-cyano-2-(8-cyano-6H-benzo[c]chromen-3-yl)ethyl]carbamoyl]oxan-4-yl]carbamate
CID 170281316
(3-fluoro-6,7-dihydrobenzo[d][1]benzoxepin-9-yl)methanol
CID 167103391
9,10-dihydrophenanthrene-2-carbonitrile
CID 141332736
methyl (2S)-3-(8-cyano-2-fluoro-6H-benzo[c]chromen-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 171048780
4-[(3-hydroxyimino-1-benzofuran-6-yl)oxymethyl]benzonitrile
CID 76985092
4H-1,3-benzodioxin-7-ylmethanol
CID 55255556
1-hydroxy-1,3-dihydro-2-benzofuran-5-carbonitrile
CID 154531997

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-6H-benzo[c]chromene-8-carbonitrile?
The IUPAC name of 3-(hydroxymethyl)-6H-benzo[c]chromene-8-carbonitrile (CID 167103423) is 3-(hydroxymethyl)-6H-benzo[c]chromene-8-carbonitrile.
What is the SMILES notation for 3-(hydroxymethyl)-6H-benzo[c]chromene-8-carbonitrile?
The canonical SMILES for 3-(hydroxymethyl)-6H-benzo[c]chromene-8-carbonitrile is N#Cc1ccc2c(c1)COc1cc(CO)ccc1-2.
What is the InChIKey of 3-(hydroxymethyl)-6H-benzo[c]chromene-8-carbonitrile?
The InChIKey is SQDYVARRFPDREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c16-7-10-1-3-13-12(5-10)9-18-15-6-11(8-17)2-4-14(13)15/h1-6,17H,8-9H2.
What are the key properties of 3-(hydroxymethyl)-6H-benzo[c]chromene-8-carbonitrile?
3-(hydroxymethyl)-6H-benzo[c]chromene-8-carbonitrile has a molecular weight of 237.26 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-6H-benzo[c]chromene-8-carbonitrile is sourced from PubChem (CID 167103423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).