9-cyclopentylidene-3,6-dimethoxyxanthene

C20H20O3 — CID 71740302

IUPAC9-cyclopentylidene-3,6-dimethoxyxanthene
SMILESCOc1ccc2c(c1)Oc1cc(OC)ccc1C2=C1CCCC1
InChIInChI=1S/C20H20O3/c1-21-14-7-9-16-18(11-14)23-19-12-15(22-2)8-10-17(19)20(16)13-5-3-4-6-13/h7-12H,3-6H2,1-2H3
InChIKeySIBBVBPNSGRFGT-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.19
Rot. Bonds2

About 9-cyclopentylidene-3,6-dimethoxyxanthene

9-cyclopentylidene-3,6-dimethoxyxanthene (PubChem CID 71740302) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 9-cyclopentylidene-3,6-dimethoxyxanthene.

Molecular Properties

Compound Name9-cyclopentylidene-3,6-dimethoxyxanthene
PubChem CID71740302
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name9-cyclopentylidene-3,6-dimethoxyxanthene
SMILESCOc1ccc2c(c1)Oc1cc(OC)ccc1C2=C1CCCC1
InChIInChI=1S/C20H20O3/c1-21-14-7-9-16-18(11-14)23-19-12-15(22-2)8-10-17(19)20(16)13-5-3-4-6-13/h7-12H,3-6H2,1-2H3
InChIKeySIBBVBPNSGRFGT-UHFFFAOYSA-N
XLogP5.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-8-one
CID 91064588
4-(3,6-dimethoxyxanthen-9-ylidene)cyclohexa-2,5-diene-1,1-dicarbonitrile
CID 89336169
7-methoxy-3-methylidenechromene-2,4-dione
CID 14090723
6-methoxy-1-benzofuran-3-one
CID 585368
8-methoxy-11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine
CID 10358767
8-methoxy-2,3-dihydro-1,4-benzodioxepin-5-one
CID 102049944
2-methoxy-5-methyl-8,9-dihydro-7H-benzo[7]annulene
CID 13275751
(3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 139082868
3,6-dimethoxy-9-propan-2-yl-9H-xanthene
CID 71740305
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
2-[(3,5-dimethoxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 85064486
(4E)-4-[(2E)-2-(2-chloro-3-methylcyclohex-2-en-1-ylidene)ethylidene]-7-methoxy-2-phenylchromene
CID 166857377

Frequently Asked Questions

What is the IUPAC name of 9-cyclopentylidene-3,6-dimethoxyxanthene?
The IUPAC name of 9-cyclopentylidene-3,6-dimethoxyxanthene (CID 71740302) is 9-cyclopentylidene-3,6-dimethoxyxanthene.
What is the SMILES notation for 9-cyclopentylidene-3,6-dimethoxyxanthene?
The canonical SMILES for 9-cyclopentylidene-3,6-dimethoxyxanthene is COc1ccc2c(c1)Oc1cc(OC)ccc1C2=C1CCCC1.
What is the InChIKey of 9-cyclopentylidene-3,6-dimethoxyxanthene?
The InChIKey is SIBBVBPNSGRFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-21-14-7-9-16-18(11-14)23-19-12-15(22-2)8-10-17(19)20(16)13-5-3-4-6-13/h7-12H,3-6H2,1-2H3.
What are the key properties of 9-cyclopentylidene-3,6-dimethoxyxanthene?
9-cyclopentylidene-3,6-dimethoxyxanthene has a molecular weight of 308.38 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentylidene-3,6-dimethoxyxanthene is sourced from PubChem (CID 71740302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).