(1R)-4-methoxy-5-methyl-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,2'-cyclopentane]-1'-one

C23H24O3 — CID 138971844

IUPAC(1R)-4-methoxy-5-methyl-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,2'-cyclopentane]-1'-one
SMILESCOc1cc2c(cc1C)C1CC(c3ccccc3)[C@H]2C2(CCCC2=O)O1
InChIInChI=1S/C23H24O3/c1-14-11-17-18(13-19(14)25-2)22-16(15-7-4-3-5-8-15)12-20(17)26-23(22)10-6-9-21(23)24/h3-5,7-8,11,13,16,20,22H,6,9-10,12H2,1-2H3/t16?,20?,22-,23?/m1/s1
InChIKeyOMPBVAXCYWKTDX-DQHJXAGGSA-N
MW348.44 g/mol
LogP4.84
Rot. Bonds2

About (1R)-4-methoxy-5-methyl-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,2'-cyclopentane]-1'-one

(1R)-4-methoxy-5-methyl-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,2'-cyclopentane]-1'-one (PubChem CID 138971844) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is (1R)-4-methoxy-5-methyl-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,2'-cyclopentane]-1'-one.

Molecular Properties

Compound Name(1R)-4-methoxy-5-methyl-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,2'-cyclopentane]-1'-one
PubChem CID138971844
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name(1R)-4-methoxy-5-methyl-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,2'-cyclopentane]-1'-one
SMILESCOc1cc2c(cc1C)C1CC(c3ccccc3)[C@H]2C2(CCCC2=O)O1
InChIInChI=1S/C23H24O3/c1-14-11-17-18(13-19(14)25-2)22-16(15-7-4-3-5-8-15)12-20(17)26-23(22)10-6-9-21(23)24/h3-5,7-8,11,13,16,20,22H,6,9-10,12H2,1-2H3/t16?,20?,22-,23?/m1/s1
InChIKeyOMPBVAXCYWKTDX-DQHJXAGGSA-N
XLogP4.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R)-4-methoxy-5-methyl-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,2'-cyclopentane]-1'-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

(R)-8,8-Dimethyl-5-pentyl-3,4,8,8a,9,10,12,12a-octahydro-2H-1,7-dioxa-benzo[c]phenanthren-11-one
CID 10546199
4-(2-Methoxyphenyl)-5-methyl-8-propan-2-yl-3,4-dihydrochromen-2-one
CID 17756901
(1R,8S,10R)-4-hydroxy-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-12-one
CID 166633524
(1R,8S,10S)-4-methoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
CID 101685144
4-(2-Methoxyphenyl)-5,7-dimethyl-3,4-dihydrochromen-2-one
CID 12841846
(1R,14S)-15,15-dimethyl-12,16-dioxahexacyclo[12.12.0.02,11.03,8.017,26.019,24]hexacosa-2(11),3,5,7,9,17(26),19,21,23-nonaene-18,25-dione
CID 25140013
(6aR,8aS,14bR)-6,6,8a-trimethyl-3,4,6a,7,8,14b-hexahydro-2H-chromeno[4,3-a]xanthen-1-one
CID 57393912
(2R,11S)-5-hydroxy-10,10-dimethyl-6-undecyl-9,13-dioxapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),3(8),5,15,17,19,21-heptaene-4,7-dione
CID 155566494
(1S,8S,10S)-4-methoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-14-one
CID 101006066
(4bR,12aS)-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromen-2-one
CID 380696
1-Tert-butoxy-1-[2-chroman-6-yl-3-ethyl-6-(trifluoromethyl)phenyl]propan-2-one
CID 129902517
methyl 2-[2-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-3-[(4-methylphenyl)methoxy]phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 121367314

Frequently Asked Questions

What is the IUPAC name of (1R)-4-methoxy-5-methyl-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,2'-cyclopentane]-1'-one?
The IUPAC name of (1R)-4-methoxy-5-methyl-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,2'-cyclopentane]-1'-one (CID 138971844) is (1R)-4-methoxy-5-methyl-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,2'-cyclopentane]-1'-one.
What is the SMILES notation for (1R)-4-methoxy-5-methyl-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,2'-cyclopentane]-1'-one?
The canonical SMILES for (1R)-4-methoxy-5-methyl-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,2'-cyclopentane]-1'-one is COc1cc2c(cc1C)C1CC(c3ccccc3)[C@H]2C2(CCCC2=O)O1.
What is the InChIKey of (1R)-4-methoxy-5-methyl-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,2'-cyclopentane]-1'-one?
The InChIKey is OMPBVAXCYWKTDX-DQHJXAGGSA-N. The full InChI is InChI=1S/C23H24O3/c1-14-11-17-18(13-19(14)25-2)22-16(15-7-4-3-5-8-15)12-20(17)26-23(22)10-6-9-21(23)24/h3-5,7-8,11,13,16,20,22H,6,9-10,12H2,1-2H3/t16?,20?,22-,23?/m1/s1.
What are the key properties of (1R)-4-methoxy-5-methyl-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,2'-cyclopentane]-1'-one?
(1R)-4-methoxy-5-methyl-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,2'-cyclopentane]-1'-one has a molecular weight of 348.44 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-methoxy-5-methyl-11-phenylspiro[9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-10,2'-cyclopentane]-1'-one is sourced from PubChem (CID 138971844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).