3-hydroxy-8-[2-(2-methoxyethoxy)ethoxy]-1,2,9,10-tetrahydrobenzo[c]chromen-6-one

C18H22O6 — CID 170746187

IUPAC3-hydroxy-8-[2-(2-methoxyethoxy)ethoxy]-1,2,9,10-tetrahydrobenzo[c]chromen-6-one
SMILESCOCCOCCOC1=Cc2c(c3c(oc2=O)C=C(O)CC3)CC1
InChIInChI=1S/C18H22O6/c1-21-6-7-22-8-9-23-13-3-5-14-15-4-2-12(19)10-17(15)24-18(20)16(14)11-13/h10-11,19H,2-9H2,1H3
InChIKeyICHDKGCFUXETAV-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.45
Rot. Bonds7

About 3-hydroxy-8-[2-(2-methoxyethoxy)ethoxy]-1,2,9,10-tetrahydrobenzo[c]chromen-6-one

3-hydroxy-8-[2-(2-methoxyethoxy)ethoxy]-1,2,9,10-tetrahydrobenzo[c]chromen-6-one (PubChem CID 170746187) has the molecular formula C18H22O6 and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-hydroxy-8-[2-(2-methoxyethoxy)ethoxy]-1,2,9,10-tetrahydrobenzo[c]chromen-6-one.

Molecular Properties

Compound Name3-hydroxy-8-[2-(2-methoxyethoxy)ethoxy]-1,2,9,10-tetrahydrobenzo[c]chromen-6-one
PubChem CID170746187
Molecular FormulaC18H22O6
Molecular Weight334.37 g/mol
Exact Mass334.14
IUPAC Name3-hydroxy-8-[2-(2-methoxyethoxy)ethoxy]-1,2,9,10-tetrahydrobenzo[c]chromen-6-one
SMILESCOCCOCCOC1=Cc2c(c3c(oc2=O)C=C(O)CC3)CC1
InChIInChI=1S/C18H22O6/c1-21-6-7-22-8-9-23-13-3-5-14-15-4-2-12(19)10-17(15)24-18(20)16(14)11-13/h10-11,19H,2-9H2,1H3
InChIKeyICHDKGCFUXETAV-UHFFFAOYSA-N
XLogP2.45
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-8-[2-(2-methoxyethoxy)ethoxy]-1,2,9,10-tetrahydrobenzo[c]chromen-6-one?
The IUPAC name of 3-hydroxy-8-[2-(2-methoxyethoxy)ethoxy]-1,2,9,10-tetrahydrobenzo[c]chromen-6-one (CID 170746187) is 3-hydroxy-8-[2-(2-methoxyethoxy)ethoxy]-1,2,9,10-tetrahydrobenzo[c]chromen-6-one.
What is the SMILES notation for 3-hydroxy-8-[2-(2-methoxyethoxy)ethoxy]-1,2,9,10-tetrahydrobenzo[c]chromen-6-one?
The canonical SMILES for 3-hydroxy-8-[2-(2-methoxyethoxy)ethoxy]-1,2,9,10-tetrahydrobenzo[c]chromen-6-one is COCCOCCOC1=Cc2c(c3c(oc2=O)C=C(O)CC3)CC1.
What is the InChIKey of 3-hydroxy-8-[2-(2-methoxyethoxy)ethoxy]-1,2,9,10-tetrahydrobenzo[c]chromen-6-one?
The InChIKey is ICHDKGCFUXETAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O6/c1-21-6-7-22-8-9-23-13-3-5-14-15-4-2-12(19)10-17(15)24-18(20)16(14)11-13/h10-11,19H,2-9H2,1H3.
What are the key properties of 3-hydroxy-8-[2-(2-methoxyethoxy)ethoxy]-1,2,9,10-tetrahydrobenzo[c]chromen-6-one?
3-hydroxy-8-[2-(2-methoxyethoxy)ethoxy]-1,2,9,10-tetrahydrobenzo[c]chromen-6-one has a molecular weight of 334.37 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-8-[2-(2-methoxyethoxy)ethoxy]-1,2,9,10-tetrahydrobenzo[c]chromen-6-one is sourced from PubChem (CID 170746187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).