4,4a,6,6a,10a,10b-hexahydro-1H-benzo[c]chromene-1,9-diol

C13H16O3 — CID 70539632

IUPAC4,4a,6,6a,10a,10b-hexahydro-1H-benzo[c]chromene-1,9-diol
SMILESOC1=CC2C(C=C1)COC1CC=CC(O)C12
InChIInChI=1S/C13H16O3/c14-9-5-4-8-7-16-12-3-1-2-11(15)13(12)10(8)6-9/h1-2,4-6,8,10-15H,3,7H2
InChIKeyJMNWAEZMFUKTCD-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.57
Rot. Bonds

About 4,4a,6,6a,10a,10b-hexahydro-1H-benzo[c]chromene-1,9-diol

4,4a,6,6a,10a,10b-hexahydro-1H-benzo[c]chromene-1,9-diol (PubChem CID 70539632) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4,4a,6,6a,10a,10b-hexahydro-1H-benzo[c]chromene-1,9-diol.

Molecular Properties

Compound Name4,4a,6,6a,10a,10b-hexahydro-1H-benzo[c]chromene-1,9-diol
PubChem CID70539632
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name4,4a,6,6a,10a,10b-hexahydro-1H-benzo[c]chromene-1,9-diol
SMILESOC1=CC2C(C=C1)COC1CC=CC(O)C12
InChIInChI=1S/C13H16O3/c14-9-5-4-8-7-16-12-3-1-2-11(15)13(12)10(8)6-9/h1-2,4-6,8,10-15H,3,7H2
InChIKeyJMNWAEZMFUKTCD-UHFFFAOYSA-N
XLogP1.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4a,6,6a,10a,10b-hexahydro-1H-benzo[c]chromene-1,9-diol?
The IUPAC name of 4,4a,6,6a,10a,10b-hexahydro-1H-benzo[c]chromene-1,9-diol (CID 70539632) is 4,4a,6,6a,10a,10b-hexahydro-1H-benzo[c]chromene-1,9-diol.
What is the SMILES notation for 4,4a,6,6a,10a,10b-hexahydro-1H-benzo[c]chromene-1,9-diol?
The canonical SMILES for 4,4a,6,6a,10a,10b-hexahydro-1H-benzo[c]chromene-1,9-diol is OC1=CC2C(C=C1)COC1CC=CC(O)C12.
What is the InChIKey of 4,4a,6,6a,10a,10b-hexahydro-1H-benzo[c]chromene-1,9-diol?
The InChIKey is JMNWAEZMFUKTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c14-9-5-4-8-7-16-12-3-1-2-11(15)13(12)10(8)6-9/h1-2,4-6,8,10-15H,3,7H2.
What are the key properties of 4,4a,6,6a,10a,10b-hexahydro-1H-benzo[c]chromene-1,9-diol?
4,4a,6,6a,10a,10b-hexahydro-1H-benzo[c]chromene-1,9-diol has a molecular weight of 220.27 g/mol, XLogP of 1.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a,6,6a,10a,10b-hexahydro-1H-benzo[c]chromene-1,9-diol is sourced from PubChem (CID 70539632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).