3-methoxy-7,8,9,10-tetrahydro-2H-benzo[c]chromene-1,6-dione

C14H14O4 — CID 69177605

IUPAC3-methoxy-7,8,9,10-tetrahydro-2H-benzo[c]chromene-1,6-dione
SMILESCOC1=Cc2oc(=O)c3c(c2C(=O)C1)CCCC3
InChIInChI=1S/C14H14O4/c1-17-8-6-11(15)13-9-4-2-3-5-10(9)14(16)18-12(13)7-8/h7H,2-6H2,1H3
InChIKeyKGNLPWKVQRXLHC-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.09
Rot. Bonds1

About 3-methoxy-7,8,9,10-tetrahydro-2H-benzo[c]chromene-1,6-dione

3-methoxy-7,8,9,10-tetrahydro-2H-benzo[c]chromene-1,6-dione (PubChem CID 69177605) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-methoxy-7,8,9,10-tetrahydro-2H-benzo[c]chromene-1,6-dione.

Molecular Properties

Compound Name3-methoxy-7,8,9,10-tetrahydro-2H-benzo[c]chromene-1,6-dione
PubChem CID69177605
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name3-methoxy-7,8,9,10-tetrahydro-2H-benzo[c]chromene-1,6-dione
SMILESCOC1=Cc2oc(=O)c3c(c2C(=O)C1)CCCC3
InChIInChI=1S/C14H14O4/c1-17-8-6-11(15)13-9-4-2-3-5-10(9)14(16)18-12(13)7-8/h7H,2-6H2,1H3
InChIKeyKGNLPWKVQRXLHC-UHFFFAOYSA-N
XLogP2.09
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-7,8,9,10-tetrahydro-2H-benzo[c]chromene-1,6-dione with MolForge

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

Launch Full Analysis

Related Compounds

CID 54737457
CID 54737457
CID 54736658
CID 54736658
CID 54678949
CID 54678949
CID 54707176
CID 54707176
CID 54721834
CID 54721834
CID 54695445
CID 54695445
CID 54738266
CID 54738266
CID 145958977
CID 145958977
CID 54710017
CID 54710017
CID 71527237
CID 71527237
CID 137662107
CID 137662107
CID 54709926
CID 54709926

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-7,8,9,10-tetrahydro-2H-benzo[c]chromene-1,6-dione?
The IUPAC name of 3-methoxy-7,8,9,10-tetrahydro-2H-benzo[c]chromene-1,6-dione (CID 69177605) is 3-methoxy-7,8,9,10-tetrahydro-2H-benzo[c]chromene-1,6-dione.
What is the SMILES notation for 3-methoxy-7,8,9,10-tetrahydro-2H-benzo[c]chromene-1,6-dione?
The canonical SMILES for 3-methoxy-7,8,9,10-tetrahydro-2H-benzo[c]chromene-1,6-dione is COC1=Cc2oc(=O)c3c(c2C(=O)C1)CCCC3.
What is the InChIKey of 3-methoxy-7,8,9,10-tetrahydro-2H-benzo[c]chromene-1,6-dione?
The InChIKey is KGNLPWKVQRXLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-17-8-6-11(15)13-9-4-2-3-5-10(9)14(16)18-12(13)7-8/h7H,2-6H2,1H3.
What are the key properties of 3-methoxy-7,8,9,10-tetrahydro-2H-benzo[c]chromene-1,6-dione?
3-methoxy-7,8,9,10-tetrahydro-2H-benzo[c]chromene-1,6-dione has a molecular weight of 246.26 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-7,8,9,10-tetrahydro-2H-benzo[c]chromene-1,6-dione is sourced from PubChem (CID 69177605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).