CID 88746780

C25H37ClO4 — CID 88746780

IUPAC—
SMILESC[C@]12CC[C@H]3[C@@H](CC[C@H]4CC5(CCC43CC=CCl)OCCO5)[C@@H]1CCC21OCCO1
InChIInChI=1S/C25H37ClO4/c1-22-8-5-21-19(20(22)6-9-25(22)29-15-16-30-25)4-3-18-17-24(27-13-14-28-24)11-10-23(18,21)7-2-12-26/h2,12,18-21H,3-11,13-17H2,1H3/t18-,19-,20-,21-,22-,23?/m0/s1
InChIKeyUNWNAFBOEJDQGE-BMIGLNFHSA-N
MW437.02 g/mol
LogP5.64
Rot. Bonds2

About CID 88746780

CID 88746780 (PubChem CID 88746780) has the molecular formula C25H37ClO4 and a molecular weight of 437.02 g/mol.

Molecular Properties

Compound NameCID 88746780
PubChem CID88746780
Molecular FormulaC25H37ClO4
Molecular Weight437.02 g/mol
Exact Mass436.24
IUPAC Name—
SMILESC[C@]12CC[C@H]3[C@@H](CC[C@H]4CC5(CCC43CC=CCl)OCCO5)[C@@H]1CCC21OCCO1
InChIInChI=1S/C25H37ClO4/c1-22-8-5-21-19(20(22)6-9-25(22)29-15-16-30-25)4-3-18-17-24(27-13-14-28-24)11-10-23(18,21)7-2-12-26/h2,12,18-21H,3-11,13-17H2,1H3/t18-,19-,20-,21-,22-,23?/m0/s1
InChIKeyUNWNAFBOEJDQGE-BMIGLNFHSA-N
XLogP5.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.02
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze CID 88746780 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

CID 144797601
CID 144797601
CID 142612930
CID 142612930
CID 134237730
CID 134237730
CID 138698868
CID 138698868
(5'S,8'R,9'R,10'S,13'S,14'S)-10',13'-dimethylspiro[1,3-dioxolane-2,17'-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene]
CID 11872550
(3'S,8'R,9'S,10'S,13'S,14'S)-10',13'-dimethyl-3'-prop-2-enylspiro[1,3-dioxolane-2,17'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-3'-ol
CID 11349337
(5S,8R,9S,10S,13R,14R)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]
CID 11867840
(3S,5S,8R,9S,10S,13R,14S)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-ol
CID 125028442
(3R,5R,8R,9S,10S,13S,14S)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]-3-ol
CID 99566197
CID 69010883
CID 69010883
CID 87709625
CID 87709625
CID 123595851
CID 123595851

Frequently Asked Questions

What is the IUPAC name of CID 88746780?
The IUPAC name of CID 88746780 (CID 88746780) is not available.
What is the SMILES notation for CID 88746780?
The canonical SMILES for CID 88746780 is C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC5(CCC43CC=CCl)OCCO5)[C@@H]1CCC21OCCO1.
What is the InChIKey of CID 88746780?
The InChIKey is UNWNAFBOEJDQGE-BMIGLNFHSA-N. The full InChI is InChI=1S/C25H37ClO4/c1-22-8-5-21-19(20(22)6-9-25(22)29-15-16-30-25)4-3-18-17-24(27-13-14-28-24)11-10-23(18,21)7-2-12-26/h2,12,18-21H,3-11,13-17H2,1H3/t18-,19-,20-,21-,22-,23?/m0/s1.
What are the key properties of CID 88746780?
CID 88746780 has a molecular weight of 437.02 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88746780 is sourced from PubChem (CID 88746780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).