(13R,14R)-3-methoxy-11,12,13,14,15,17-hexahydrocyclopenta[a]phenanthren-16-one

C18H18O2 — CID 57376665

IUPAC(13R,14R)-3-methoxy-11,12,13,14,15,17-hexahydrocyclopenta[a]phenanthren-16-one
SMILESCOc1ccc2c3c(ccc2c1)[C@@H]1CC(=O)C[C@H]1CC3
InChIInChI=1S/C18H18O2/c1-20-14-4-7-15-12(9-14)3-6-17-16(15)5-2-11-8-13(19)10-18(11)17/h3-4,6-7,9,11,18H,2,5,8,10H2,1H3/t11-,18-/m1/s1
InChIKeyHBBSTQBIUPTJSZ-ADLMAVQZSA-N
MW266.34 g/mol
LogP3.86
Rot. Bonds1

About (13R,14R)-3-methoxy-11,12,13,14,15,17-hexahydrocyclopenta[a]phenanthren-16-one

(13R,14R)-3-methoxy-11,12,13,14,15,17-hexahydrocyclopenta[a]phenanthren-16-one (PubChem CID 57376665) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (13R,14R)-3-methoxy-11,12,13,14,15,17-hexahydrocyclopenta[a]phenanthren-16-one.

Molecular Properties

Compound Name(13R,14R)-3-methoxy-11,12,13,14,15,17-hexahydrocyclopenta[a]phenanthren-16-one
PubChem CID57376665
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(13R,14R)-3-methoxy-11,12,13,14,15,17-hexahydrocyclopenta[a]phenanthren-16-one
SMILESCOc1ccc2c3c(ccc2c1)[C@@H]1CC(=O)C[C@H]1CC3
InChIInChI=1S/C18H18O2/c1-20-14-4-7-15-12(9-14)3-6-17-16(15)5-2-11-8-13(19)10-18(11)17/h3-4,6-7,9,11,18H,2,5,8,10H2,1H3/t11-,18-/m1/s1
InChIKeyHBBSTQBIUPTJSZ-ADLMAVQZSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (13R,14R)-3-methoxy-11,12,13,14,15,17-hexahydrocyclopenta[a]phenanthren-16-one 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

8-methoxy-12a-methyl-2,3,4,4a,11,12-hexahydrochrysen-1-one
CID 626328
(13R,14S)-13-ethyl-3-methoxy-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
CID 22295889
(13S)-3-methoxy-11,12,13,17-tetrahydrocyclopenta[a]phenanthren-16-one
CID 98511136
(6-methoxy-1,2-dihydrocyclobuta[a]naphthalen-2-yl)methanamine
CID 14924019
(13R,14R,17S)-3-methoxy-13,17-dimethyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthrene
CID 95564593
[(13S,14R,17R)-3-methoxy-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-17-yl] acetate
CID 7366945
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
3-(6-methoxynaphthalene-2-carbonyl)cyclopentan-1-one
CID 79638807
3-methoxy-11-methyl-15,16-dihydrocyclopenta[a]phenanthren-17-one
CID 10084827
7-methoxy-3-methyl-1,2-dihydrobenzo[e]phosphindole 3-oxide
CID 12500022
(13R,14S)-3-methoxy-13-methyl-11-methylidene-12,14,15,16-tetrahydrocyclopenta[a]phenanthren-17-one
CID 15427863
3-(3-methoxynaphthalen-1-yl)cyclohexan-1-one
CID 146389737

Frequently Asked Questions

What is the IUPAC name of (13R,14R)-3-methoxy-11,12,13,14,15,17-hexahydrocyclopenta[a]phenanthren-16-one?
The IUPAC name of (13R,14R)-3-methoxy-11,12,13,14,15,17-hexahydrocyclopenta[a]phenanthren-16-one (CID 57376665) is (13R,14R)-3-methoxy-11,12,13,14,15,17-hexahydrocyclopenta[a]phenanthren-16-one.
What is the SMILES notation for (13R,14R)-3-methoxy-11,12,13,14,15,17-hexahydrocyclopenta[a]phenanthren-16-one?
The canonical SMILES for (13R,14R)-3-methoxy-11,12,13,14,15,17-hexahydrocyclopenta[a]phenanthren-16-one is COc1ccc2c3c(ccc2c1)[C@@H]1CC(=O)C[C@H]1CC3.
What is the InChIKey of (13R,14R)-3-methoxy-11,12,13,14,15,17-hexahydrocyclopenta[a]phenanthren-16-one?
The InChIKey is HBBSTQBIUPTJSZ-ADLMAVQZSA-N. The full InChI is InChI=1S/C18H18O2/c1-20-14-4-7-15-12(9-14)3-6-17-16(15)5-2-11-8-13(19)10-18(11)17/h3-4,6-7,9,11,18H,2,5,8,10H2,1H3/t11-,18-/m1/s1.
What are the key properties of (13R,14R)-3-methoxy-11,12,13,14,15,17-hexahydrocyclopenta[a]phenanthren-16-one?
(13R,14R)-3-methoxy-11,12,13,14,15,17-hexahydrocyclopenta[a]phenanthren-16-one has a molecular weight of 266.34 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (13R,14R)-3-methoxy-11,12,13,14,15,17-hexahydrocyclopenta[a]phenanthren-16-one is sourced from PubChem (CID 57376665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).