(6aS,12bR)-1,3-dimethoxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene

C20H22O2 — CID 56654264

IUPAC(6aS,12bR)-1,3-dimethoxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene
SMILESCOc1cc2c(c(OC)c1)[C@H]1c3ccccc3CC[C@H]1CC2
InChIInChI=1S/C20H22O2/c1-21-16-11-15-10-9-14-8-7-13-5-3-4-6-17(13)19(14)20(15)18(12-16)22-2/h3-6,11-12,14,19H,7-10H2,1-2H3/t14-,19+/m0/s1
InChIKeyPBRNKYJDLKVBOC-IFXJQAMLSA-N
MW294.39 g/mol
LogP4.34
Rot. Bonds2

About (6aS,12bR)-1,3-dimethoxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene

(6aS,12bR)-1,3-dimethoxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene (PubChem CID 56654264) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is (6aS,12bR)-1,3-dimethoxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene.

Molecular Properties

Compound Name(6aS,12bR)-1,3-dimethoxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene
PubChem CID56654264
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name(6aS,12bR)-1,3-dimethoxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene
SMILESCOc1cc2c(c(OC)c1)[C@H]1c3ccccc3CC[C@H]1CC2
InChIInChI=1S/C20H22O2/c1-21-16-11-15-10-9-14-8-7-13-5-3-4-6-17(13)19(14)20(15)18(12-16)22-2/h3-6,11-12,14,19H,7-10H2,1-2H3/t14-,19+/m0/s1
InChIKeyPBRNKYJDLKVBOC-IFXJQAMLSA-N
XLogP4.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6aS,12bR)-1,3-dimethoxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene 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

(1S,2R)-2-bromo-1-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 11688277
(1R)-1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 132584955
(1R,2S)-1-(4-chloro-3-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 57370466
5,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383413
(1R,2S)-2-bromo-1-(2,3,4-trimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 134940287
1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene
CID 91416064
(3aS,4R,8bS)-5,7-dimethoxy-4-phenyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan
CID 57342578
2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone
CID 12045348
N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369352
6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 62375762
1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene
CID 156649341
9,10-dihydroanthracene-9,10-diol;1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol;bis(2,7-dimethoxy-9,10-dihydroanthracene-9,10-diol);1-methoxy-9,10-dihydroanthracene-9,10-diol;bis(2-methoxy-9,10-dihydroanthracene-9,10-diol);1,3,6,8-tetramethoxy-9,10-dihydroanthracene-9,10-diol
CID 162158645

Frequently Asked Questions

What is the IUPAC name of (6aS,12bR)-1,3-dimethoxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene?
The IUPAC name of (6aS,12bR)-1,3-dimethoxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene (CID 56654264) is (6aS,12bR)-1,3-dimethoxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene.
What is the SMILES notation for (6aS,12bR)-1,3-dimethoxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene?
The canonical SMILES for (6aS,12bR)-1,3-dimethoxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene is COc1cc2c(c(OC)c1)[C@H]1c3ccccc3CC[C@H]1CC2.
What is the InChIKey of (6aS,12bR)-1,3-dimethoxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene?
The InChIKey is PBRNKYJDLKVBOC-IFXJQAMLSA-N. The full InChI is InChI=1S/C20H22O2/c1-21-16-11-15-10-9-14-8-7-13-5-3-4-6-17(13)19(14)20(15)18(12-16)22-2/h3-6,11-12,14,19H,7-10H2,1-2H3/t14-,19+/m0/s1.
What are the key properties of (6aS,12bR)-1,3-dimethoxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene?
(6aS,12bR)-1,3-dimethoxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene has a molecular weight of 294.39 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,12bR)-1,3-dimethoxy-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthrene is sourced from PubChem (CID 56654264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).