CID 11814231

C25H29O2 — CID 11814231

IUPAC—
SMILESC[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C/[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C25H29O2/c1-24-13-11-21-20-9-7-19(26)16-18(20)6-8-22(21)23(24)12-15-25(24,27)14-10-17-4-2-3-5-17/h2-5,7,9-10,14,16,21-23,26-27H,6,8,11-13,15H2,1H3/b14-10+/t21-,22-,23+,24+,25+/m1/s1
InChIKeyXFCZRRDQVGLJTE-SICPUWSWSA-N
MW361.50 g/mol
LogP4.94
Rot. Bonds2

About CID 11814231

CID 11814231 (PubChem CID 11814231) has the molecular formula C25H29O2 and a molecular weight of 361.50 g/mol.

Molecular Properties

Compound NameCID 11814231
PubChem CID11814231
Molecular FormulaC25H29O2
Molecular Weight361.50 g/mol
Exact Mass361.22
IUPAC Name—
SMILESC[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C/[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C25H29O2/c1-24-13-11-21-20-9-7-19(26)16-18(20)6-8-22(21)23(24)12-15-25(24,27)14-10-17-4-2-3-5-17/h2-5,7,9-10,14,16,21-23,26-27H,6,8,11-13,15H2,1H3/b14-10+/t21-,22-,23+,24+,25+/m1/s1
InChIKeyXFCZRRDQVGLJTE-SICPUWSWSA-N
XLogP4.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.50
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(8R,9S,13S,14S,17R)-13-methyl-17-[(Z)-prop-1-enyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 10267543
(8R,9S,13S,14S,17S)-17-(2-iodoethenyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 57136234
(8R,9S,13S,14S,17R)-13-methyl-17-[(E)-2-(2-methylphenyl)ethenyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 15485194
(13S,17R)-13-methyl-17-[(E)-2-thiophen-3-ylethenyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 56950657
(8R,9S,13S,14S,17R)-17-[(E)-2-(6-chloro-3-pyridinyl)ethenyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 10873278
13,17-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 520471
(17S)-13,17-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 6432311
(8R,9R,13S,14R,17S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 6093253
(8R,9S,13R,14R,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 6994197
(8S,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 15558445
(13S,17S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
CID 16757679
2-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetic acid
CID 125481212

Frequently Asked Questions

What is the IUPAC name of CID 11814231?
The IUPAC name of CID 11814231 (CID 11814231) is not available.
What is the SMILES notation for CID 11814231?
The canonical SMILES for CID 11814231 is C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C/[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 11814231?
The InChIKey is XFCZRRDQVGLJTE-SICPUWSWSA-N. The full InChI is InChI=1S/C25H29O2/c1-24-13-11-21-20-9-7-19(26)16-18(20)6-8-22(21)23(24)12-15-25(24,27)14-10-17-4-2-3-5-17/h2-5,7,9-10,14,16,21-23,26-27H,6,8,11-13,15H2,1H3/b14-10+/t21-,22-,23+,24+,25+/m1/s1.
What are the key properties of CID 11814231?
CID 11814231 has a molecular weight of 361.50 g/mol, XLogP of 4.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11814231 is sourced from PubChem (CID 11814231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).