CID 46241821

C24H29FO3 — CID 46241821

IUPAC—
SMILESC[C@]12C=CC(=O)C=C1C1(CC1)CC1C2C(F)C[C@@]2(C)C1CC[C@@]21CCC(=O)O1
InChIInChI=1S/C24H29FO3/c1-21-6-3-14(26)11-18(21)23(9-10-23)12-15-16-4-7-24(8-5-19(27)28-24)22(16,2)13-17(25)20(15)21/h3,6,11,15-17,20H,4-5,7-10,12-13H2,1-2H3/t15?,16?,17?,20?,21-,22-,24+/m0/s1
InChIKeyZZONQUNAXKYLOX-ZLZQSXDCSA-N
MW384.49 g/mol
LogP4.71
Rot. Bonds

About CID 46241821

CID 46241821 (PubChem CID 46241821) has the molecular formula C24H29FO3 and a molecular weight of 384.49 g/mol.

Molecular Properties

Compound NameCID 46241821
PubChem CID46241821
Molecular FormulaC24H29FO3
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name—
SMILESC[C@]12C=CC(=O)C=C1C1(CC1)CC1C2C(F)C[C@@]2(C)C1CC[C@@]21CCC(=O)O1
InChIInChI=1S/C24H29FO3/c1-21-6-3-14(26)11-18(21)23(9-10-23)12-15-16-4-7-24(8-5-19(27)28-24)22(16,2)13-17(25)20(15)21/h3,6,11,15-17,20H,4-5,7-10,12-13H2,1-2H3/t15?,16?,17?,20?,21-,22-,24+/m0/s1
InChIKeyZZONQUNAXKYLOX-ZLZQSXDCSA-N
XLogP4.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 91284351
CID 91284351
10,13-dimethylspiro[9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 13424703
(1R,2S,4R,10R,11S,14S,15R,18S)-10,14-dimethylspiro[3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadeca-5,8-diene-15,5'-oxolane]-2',7-dione
CID 10665833
(1R,2S,11S,15R,18S)-2,16-dimethylspiro[19-oxahexacyclo[9.8.0.01,18.02,7.08,10.012,16]nonadeca-3,6-diene-15,5'-oxolane]-2',5-dione
CID 59896837
11-hydroxy-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 21133122
CID 91064608
CID 91064608
(8R,9S,10S,13R,14R,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 11888958
(10R,13S,17S)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 18594033
(8R,9R,10R,13S,14S,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 7076287
(8R,9R,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
CID 7091688
(8R,9S,10R,13S,14S)-6,6,17,17-tetrafluoro-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
CID 154278254
(4aR,4bS,10aR,10bR,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione
CID 124541022

Frequently Asked Questions

What is the IUPAC name of CID 46241821?
The IUPAC name of CID 46241821 (CID 46241821) is not available.
What is the SMILES notation for CID 46241821?
The canonical SMILES for CID 46241821 is C[C@]12C=CC(=O)C=C1C1(CC1)CC1C2C(F)C[C@@]2(C)C1CC[C@@]21CCC(=O)O1.
What is the InChIKey of CID 46241821?
The InChIKey is ZZONQUNAXKYLOX-ZLZQSXDCSA-N. The full InChI is InChI=1S/C24H29FO3/c1-21-6-3-14(26)11-18(21)23(9-10-23)12-15-16-4-7-24(8-5-19(27)28-24)22(16,2)13-17(25)20(15)21/h3,6,11,15-17,20H,4-5,7-10,12-13H2,1-2H3/t15?,16?,17?,20?,21-,22-,24+/m0/s1.
What are the key properties of CID 46241821?
CID 46241821 has a molecular weight of 384.49 g/mol, XLogP of 4.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46241821 is sourced from PubChem (CID 46241821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).