CID 174008770

C19H24BO2 — CID 174008770

IUPAC—
SMILESC[B]OC1CCC2C3CCC4=CC(=O)CCC4=C3C=CC12C
InChIInChI=1S/C19H24BO2/c1-19-10-9-15-14-6-4-13(21)11-12(14)3-5-16(15)17(19)7-8-18(19)22-20-2/h9-11,16-18H,3-8H2,1-2H3
InChIKeyWJNRSBMONMLCTB-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.02
Rot. Bonds2

About CID 174008770

CID 174008770 (PubChem CID 174008770) has the molecular formula C19H24BO2 and a molecular weight of 295.21 g/mol.

Molecular Properties

Compound NameCID 174008770
PubChem CID174008770
Molecular FormulaC19H24BO2
Molecular Weight295.21 g/mol
Exact Mass295.19
IUPAC Name—
SMILESC[B]OC1CCC2C3CCC4=CC(=O)CCC4=C3C=CC12C
InChIInChI=1S/C19H24BO2/c1-19-10-9-15-14-6-4-13(21)11-12(14)3-5-16(15)17(19)7-8-18(19)22-20-2/h9-11,16-18H,3-8H2,1-2H3
InChIKeyWJNRSBMONMLCTB-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 174008770 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

[(8S,13S,14R,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
CID 7093702
17-hydroxy-13-methyl-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-one
CID 4092426
(13S,14S,17S)-17-hydroxy-13-methyl-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-one
CID 163367279
(8R,13S,14S,17S)-17-hydroxy-13-methyl-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-one
CID 13041692
[(8S,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] pentanoate
CID 56636676
(13S,14S,17R)-13,17-dimethyl-17-propan-2-yl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
CID 174178247
(8S,13S,14S)-17,17-dihydroxy-13-methyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
CID 177124155
(8S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
CID 13313
(8S,13S,14S,17R)-13-methyl-2'-oxospiro[1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthrene-17,5'-oxathiolane]-3-one
CID 90475759
(8R,13S,14R,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
CID 124514474
(8S,14S,17S)-17-methoxy-13-propan-2-yl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 166649080
(8S,13S,14S,17S)-17-hydroxy-17-(methylsulfinylmethyl)-13-propyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
CID 70348629

Frequently Asked Questions

What is the IUPAC name of CID 174008770?
The IUPAC name of CID 174008770 (CID 174008770) is not available.
What is the SMILES notation for CID 174008770?
The canonical SMILES for CID 174008770 is C[B]OC1CCC2C3CCC4=CC(=O)CCC4=C3C=CC12C.
What is the InChIKey of CID 174008770?
The InChIKey is WJNRSBMONMLCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BO2/c1-19-10-9-15-14-6-4-13(21)11-12(14)3-5-16(15)17(19)7-8-18(19)22-20-2/h9-11,16-18H,3-8H2,1-2H3.
What are the key properties of CID 174008770?
CID 174008770 has a molecular weight of 295.21 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174008770 is sourced from PubChem (CID 174008770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).