6-(methoxymethyl)-4aH-benzo[c]chromene

C15H14O2 — CID 22071606

IUPAC6-(methoxymethyl)-4aH-benzo[c]chromene
SMILESCOCC1=c2ccccc2=C2C=CC=CC2O1
InChIInChI=1S/C15H14O2/c1-16-10-15-13-8-3-2-6-11(13)12-7-4-5-9-14(12)17-15/h2-9,14H,10H2,1H3
InChIKeyZXKNCTYPWCSLIF-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.12
Rot. Bonds2

About 6-(methoxymethyl)-4aH-benzo[c]chromene

6-(methoxymethyl)-4aH-benzo[c]chromene (PubChem CID 22071606) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 6-(methoxymethyl)-4aH-benzo[c]chromene.

Molecular Properties

Compound Name6-(methoxymethyl)-4aH-benzo[c]chromene
PubChem CID22071606
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name6-(methoxymethyl)-4aH-benzo[c]chromene
SMILESCOCC1=c2ccccc2=C2C=CC=CC2O1
InChIInChI=1S/C15H14O2/c1-16-10-15-13-8-3-2-6-11(13)12-7-4-5-9-14(12)17-15/h2-9,14H,10H2,1H3
InChIKeyZXKNCTYPWCSLIF-UHFFFAOYSA-N
XLogP1.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(methoxymethyl)-4aH-benzo[c]chromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-4aH-benzo[c]chromene?
The IUPAC name of 6-(methoxymethyl)-4aH-benzo[c]chromene (CID 22071606) is 6-(methoxymethyl)-4aH-benzo[c]chromene.
What is the SMILES notation for 6-(methoxymethyl)-4aH-benzo[c]chromene?
The canonical SMILES for 6-(methoxymethyl)-4aH-benzo[c]chromene is COCC1=c2ccccc2=C2C=CC=CC2O1.
What is the InChIKey of 6-(methoxymethyl)-4aH-benzo[c]chromene?
The InChIKey is ZXKNCTYPWCSLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-16-10-15-13-8-3-2-6-11(13)12-7-4-5-9-14(12)17-15/h2-9,14H,10H2,1H3.
What are the key properties of 6-(methoxymethyl)-4aH-benzo[c]chromene?
6-(methoxymethyl)-4aH-benzo[c]chromene has a molecular weight of 226.28 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-4aH-benzo[c]chromene is sourced from PubChem (CID 22071606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).