(10R)-3-methoxy-10,17-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene

C20H28O — CID 18393317

IUPAC(10R)-3-methoxy-10,17-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene
SMILESCOC1=CC2=CCC3C4CCC(C)=C4CCC3[C@@]2(C)CC1
InChIInChI=1S/C20H28O/c1-13-4-6-17-16(13)8-9-19-18(17)7-5-14-12-15(21-3)10-11-20(14,19)2/h5,12,17-19H,4,6-11H2,1-3H3/t17?,18?,19?,20-/m0/s1
InChIKeyTWIOOIXVLWXDNI-WSXZXBBNSA-N
MW284.44 g/mol
LogP5.40
Rot. Bonds1

About (10R)-3-methoxy-10,17-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene

(10R)-3-methoxy-10,17-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene (PubChem CID 18393317) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is (10R)-3-methoxy-10,17-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene.

Molecular Properties

Compound Name(10R)-3-methoxy-10,17-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene
PubChem CID18393317
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name(10R)-3-methoxy-10,17-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene
SMILESCOC1=CC2=CCC3C4CCC(C)=C4CCC3[C@@]2(C)CC1
InChIInChI=1S/C20H28O/c1-13-4-6-17-16(13)8-9-19-18(17)7-5-14-12-15(21-3)10-11-20(14,19)2/h5,12,17-19H,4,6-11H2,1-3H3/t17?,18?,19?,20-/m0/s1
InChIKeyTWIOOIXVLWXDNI-WSXZXBBNSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (10R)-3-methoxy-10,17-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (10R)-3-methoxy-10,17-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene?
The IUPAC name of (10R)-3-methoxy-10,17-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene (CID 18393317) is (10R)-3-methoxy-10,17-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene.
What is the SMILES notation for (10R)-3-methoxy-10,17-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene?
The canonical SMILES for (10R)-3-methoxy-10,17-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene is COC1=CC2=CCC3C4CCC(C)=C4CCC3[C@@]2(C)CC1.
What is the InChIKey of (10R)-3-methoxy-10,17-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene?
The InChIKey is TWIOOIXVLWXDNI-WSXZXBBNSA-N. The full InChI is InChI=1S/C20H28O/c1-13-4-6-17-16(13)8-9-19-18(17)7-5-14-12-15(21-3)10-11-20(14,19)2/h5,12,17-19H,4,6-11H2,1-3H3/t17?,18?,19?,20-/m0/s1.
What are the key properties of (10R)-3-methoxy-10,17-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene?
(10R)-3-methoxy-10,17-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene has a molecular weight of 284.44 g/mol, XLogP of 5.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-3-methoxy-10,17-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene is sourced from PubChem (CID 18393317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).