8-(methoxymethoxy)-4-[4-(methoxymethoxy)phenyl]-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-2-ol

C22H26O6 — CID 68706007

IUPAC8-(methoxymethoxy)-4-[4-(methoxymethoxy)phenyl]-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-2-ol
SMILESCOCOc1ccc(C2Oc3ccc(OCOC)cc3C3CC(O)CC32)cc1
InChIInChI=1S/C22H26O6/c1-24-12-26-16-5-3-14(4-6-16)22-20-10-15(23)9-18(20)19-11-17(27-13-25-2)7-8-21(19)28-22/h3-8,11,15,18,20,22-23H,9-10,12-13H2,1-2H3
InChIKeyQZPYEMWSXOMGAC-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.64
Rot. Bonds7

About 8-(methoxymethoxy)-4-[4-(methoxymethoxy)phenyl]-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-2-ol

8-(methoxymethoxy)-4-[4-(methoxymethoxy)phenyl]-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-2-ol (PubChem CID 68706007) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is 8-(methoxymethoxy)-4-[4-(methoxymethoxy)phenyl]-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-2-ol.

Molecular Properties

Compound Name8-(methoxymethoxy)-4-[4-(methoxymethoxy)phenyl]-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-2-ol
PubChem CID68706007
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name8-(methoxymethoxy)-4-[4-(methoxymethoxy)phenyl]-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-2-ol
SMILESCOCOc1ccc(C2Oc3ccc(OCOC)cc3C3CC(O)CC32)cc1
InChIInChI=1S/C22H26O6/c1-24-12-26-16-5-3-14(4-6-16)22-20-10-15(23)9-18(20)19-11-17(27-13-25-2)7-8-21(19)28-22/h3-8,11,15,18,20,22-23H,9-10,12-13H2,1-2H3
InChIKeyQZPYEMWSXOMGAC-UHFFFAOYSA-N
XLogP3.64
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethoxy)-4-[4-(methoxymethoxy)phenyl]-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-2-ol?
The IUPAC name of 8-(methoxymethoxy)-4-[4-(methoxymethoxy)phenyl]-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-2-ol (CID 68706007) is 8-(methoxymethoxy)-4-[4-(methoxymethoxy)phenyl]-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-2-ol.
What is the SMILES notation for 8-(methoxymethoxy)-4-[4-(methoxymethoxy)phenyl]-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-2-ol?
The canonical SMILES for 8-(methoxymethoxy)-4-[4-(methoxymethoxy)phenyl]-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-2-ol is COCOc1ccc(C2Oc3ccc(OCOC)cc3C3CC(O)CC32)cc1.
What is the InChIKey of 8-(methoxymethoxy)-4-[4-(methoxymethoxy)phenyl]-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-2-ol?
The InChIKey is QZPYEMWSXOMGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O6/c1-24-12-26-16-5-3-14(4-6-16)22-20-10-15(23)9-18(20)19-11-17(27-13-25-2)7-8-21(19)28-22/h3-8,11,15,18,20,22-23H,9-10,12-13H2,1-2H3.
What are the key properties of 8-(methoxymethoxy)-4-[4-(methoxymethoxy)phenyl]-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-2-ol?
8-(methoxymethoxy)-4-[4-(methoxymethoxy)phenyl]-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-2-ol has a molecular weight of 386.44 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethoxy)-4-[4-(methoxymethoxy)phenyl]-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-2-ol is sourced from PubChem (CID 68706007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).