2,3-dimethoxy-1',1',5',5'-tetramethyl-9-phenylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol

C34H36O3 — CID 161242797

IUPAC2,3-dimethoxy-1',1',5',5'-tetramethyl-9-phenylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol
SMILESCOc1cc2c(O)cc3c(c2cc1OC)-c1ccc(-c2ccccc2)cc1C31CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C34H36O3/c1-32(2)18-33(3,4)20-34(19-32)26-14-22(21-10-8-7-9-11-21)12-13-23(26)31-25-16-30(37-6)29(36-5)15-24(25)28(35)17-27(31)34/h7-17,35H,18-20H2,1-6H3
InChIKeyVAFUVOQVXBPJSD-UHFFFAOYSA-N
MW492.66 g/mol
LogP8.73
Rot. Bonds3

About 2,3-dimethoxy-1',1',5',5'-tetramethyl-9-phenylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol

2,3-dimethoxy-1',1',5',5'-tetramethyl-9-phenylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol (PubChem CID 161242797) has the molecular formula C34H36O3 and a molecular weight of 492.66 g/mol. Its IUPAC name is 2,3-dimethoxy-1',1',5',5'-tetramethyl-9-phenylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol.

Molecular Properties

Compound Name2,3-dimethoxy-1',1',5',5'-tetramethyl-9-phenylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol
PubChem CID161242797
Molecular FormulaC34H36O3
Molecular Weight492.66 g/mol
Exact Mass492.27
IUPAC Name2,3-dimethoxy-1',1',5',5'-tetramethyl-9-phenylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol
SMILESCOc1cc2c(O)cc3c(c2cc1OC)-c1ccc(-c2ccccc2)cc1C31CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C34H36O3/c1-32(2)18-33(3,4)20-34(19-32)26-14-22(21-10-8-7-9-11-21)12-13-23(26)31-25-16-30(37-6)29(36-5)15-24(25)28(35)17-27(31)34/h7-17,35H,18-20H2,1-6H3
InChIKeyVAFUVOQVXBPJSD-UHFFFAOYSA-N
XLogP8.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.66
LogP ≤ 58.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dimethoxy-1',1',5',5'-tetramethyl-9-phenylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol with MolForge

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Related Compounds

20'-methoxy-1,1,5,5-tetramethylspiro[cyclohexane-3,14'-pentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaene]-17'-ol
CID 59480291
2,3,4-trimethoxy-7,7-dimethyl-9-phenylbenzo[c]fluoren-5-ol
CID 67972181
15-methoxy-1',1',5',5'-tetramethylspiro[17,20-dioxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15-octaene-9,3'-cyclohexane]-12-ol
CID 67968853
1',1',2,5',5'-pentamethyl-3-methylsulfanylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol
CID 69097264
1',1',5',5',16,18-hexamethyl-17,17-bis(trifluoromethyl)spiro[16,18-diazapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3,5,7,11,13,15(19)-octaene-9,3'-cyclohexane]-12-ol
CID 89115194
7,7-bis(2-ethoxyethyl)-3-methoxy-9-phenyl-2-piperidin-1-ylbenzo[c]fluoren-5-ol
CID 170010702
7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol
CID 170317987
8-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)-4-methoxy-2,2-dimethyl-9-phenyl-1H-benzo[e][1]benzofuran-6-ol
CID 67968913
2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol
CID 67228250
17,17,18-trifluoro-1',1',5',5'-tetramethylspiro[16,18-diazapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3,5,7,11,13,15(19)-octaene-9,3'-cyclohexane]-12-ol
CID 89115132
12-hydroxy-1',1',5',5',18-pentamethylspiro[16,18-diazapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3,5,7,11,13,15(19)-octaene-9,3'-cyclohexane]-17-carbonitrile
CID 70935677
12-hydroxy-1',1',5',5',18-pentamethylspiro[16,18-diazapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3,5,7,11,13,15(19)-octaene-9,3'-cyclohexane]-17-carbonitrile;methane
CID 160685025

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-1',1',5',5'-tetramethyl-9-phenylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol?
The IUPAC name of 2,3-dimethoxy-1',1',5',5'-tetramethyl-9-phenylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol (CID 161242797) is 2,3-dimethoxy-1',1',5',5'-tetramethyl-9-phenylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol.
What is the SMILES notation for 2,3-dimethoxy-1',1',5',5'-tetramethyl-9-phenylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol?
The canonical SMILES for 2,3-dimethoxy-1',1',5',5'-tetramethyl-9-phenylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol is COc1cc2c(O)cc3c(c2cc1OC)-c1ccc(-c2ccccc2)cc1C31CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 2,3-dimethoxy-1',1',5',5'-tetramethyl-9-phenylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol?
The InChIKey is VAFUVOQVXBPJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36O3/c1-32(2)18-33(3,4)20-34(19-32)26-14-22(21-10-8-7-9-11-21)12-13-23(26)31-25-16-30(37-6)29(36-5)15-24(25)28(35)17-27(31)34/h7-17,35H,18-20H2,1-6H3.
What are the key properties of 2,3-dimethoxy-1',1',5',5'-tetramethyl-9-phenylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol?
2,3-dimethoxy-1',1',5',5'-tetramethyl-9-phenylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol has a molecular weight of 492.66 g/mol, XLogP of 8.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-1',1',5',5'-tetramethyl-9-phenylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol is sourced from PubChem (CID 161242797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).