3,4-dimethoxypentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1(16),2(7),3,5,8(17),9,11(18),14-octaene

C20H16O2 — CID 101465646

IUPAC3,4-dimethoxypentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1(16),2(7),3,5,8(17),9,11(18),14-octaene
SMILESCOc1ccc2c(c1OC)-c1ccc3c4c(ccc-2c14)CC3
InChIInChI=1S/C20H16O2/c1-21-16-10-9-14-13-7-5-11-3-4-12-6-8-15(18(13)17(11)12)19(14)20(16)22-2/h5-10H,3-4H2,1-2H3
InChIKeyPATSTFCGEOADBK-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.60
Rot. Bonds2

About 3,4-dimethoxypentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1(16),2(7),3,5,8(17),9,11(18),14-octaene

3,4-dimethoxypentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1(16),2(7),3,5,8(17),9,11(18),14-octaene (PubChem CID 101465646) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3,4-dimethoxypentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1(16),2(7),3,5,8(17),9,11(18),14-octaene.

Molecular Properties

Compound Name3,4-dimethoxypentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1(16),2(7),3,5,8(17),9,11(18),14-octaene
PubChem CID101465646
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name3,4-dimethoxypentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1(16),2(7),3,5,8(17),9,11(18),14-octaene
SMILESCOc1ccc2c(c1OC)-c1ccc3c4c(ccc-2c14)CC3
InChIInChI=1S/C20H16O2/c1-21-16-10-9-14-13-7-5-11-3-4-12-6-8-15(18(13)17(11)12)19(14)20(16)22-2/h5-10H,3-4H2,1-2H3
InChIKeyPATSTFCGEOADBK-UHFFFAOYSA-N
XLogP4.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-dimethoxypentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1(16),2(7),3,5,8(17),9,11(18),14-octaene 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

3,10-dimethoxypentacyclo[10.2.2.25,8.02,11.04,9]octadeca-1(14),2,4,6,8,10,12-heptaene
CID 101462023
5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene
CID 122402189
6,7-dimethoxy-2,3-dihydroinden-1-one
CID 15292475
7,15,17-trimethoxypentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12(20),13,15,17-decaene
CID 72722587
1,2-dimethoxybiphenylene;isocyanic acid
CID 87379313
2-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)-6,7-dimethoxy-3H-isoindol-1-one
CID 24773797
2-(5,6-dimethoxy-9,10-dihydrophenanthren-1-yl)-N,N-dimethylethanamine
CID 125482851
9-methoxy-7-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene
CID 59613717
(9R)-3,4-dimethoxy-9,10-dihydrophenanthren-9-amine
CID 129363571
6,7-dimethoxy-2-propyl-3H-isoindol-1-one
CID 86014063
5-methoxy-6-(6-methoxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
CID 11488347
6-methoxyphenalene-1,3-dione
CID 22763709

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxypentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1(16),2(7),3,5,8(17),9,11(18),14-octaene?
The IUPAC name of 3,4-dimethoxypentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1(16),2(7),3,5,8(17),9,11(18),14-octaene (CID 101465646) is 3,4-dimethoxypentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1(16),2(7),3,5,8(17),9,11(18),14-octaene.
What is the SMILES notation for 3,4-dimethoxypentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1(16),2(7),3,5,8(17),9,11(18),14-octaene?
The canonical SMILES for 3,4-dimethoxypentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1(16),2(7),3,5,8(17),9,11(18),14-octaene is COc1ccc2c(c1OC)-c1ccc3c4c(ccc-2c14)CC3.
What is the InChIKey of 3,4-dimethoxypentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1(16),2(7),3,5,8(17),9,11(18),14-octaene?
The InChIKey is PATSTFCGEOADBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2/c1-21-16-10-9-14-13-7-5-11-3-4-12-6-8-15(18(13)17(11)12)19(14)20(16)22-2/h5-10H,3-4H2,1-2H3.
What are the key properties of 3,4-dimethoxypentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1(16),2(7),3,5,8(17),9,11(18),14-octaene?
3,4-dimethoxypentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1(16),2(7),3,5,8(17),9,11(18),14-octaene has a molecular weight of 288.35 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxypentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1(16),2(7),3,5,8(17),9,11(18),14-octaene is sourced from PubChem (CID 101465646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).