7-methoxy-7-methyl-3-methylsulfanyl-2-(sulfanylmethyl)benzo[c]fluoren-5-ol

C21H20O2S2 — CID 87693158

IUPAC7-methoxy-7-methyl-3-methylsulfanyl-2-(sulfanylmethyl)benzo[c]fluoren-5-ol
SMILESCOC1(C)c2ccccc2-c2c1cc(O)c1cc(SC)c(CS)cc21
InChIInChI=1S/C21H20O2S2/c1-21(23-2)16-7-5-4-6-13(16)20-15-8-12(11-24)19(25-3)9-14(15)18(22)10-17(20)21/h4-10,22,24H,11H2,1-3H3
InChIKeyILVVEOSAULOVSZ-UHFFFAOYSA-N
MW368.52 g/mol
LogP5.59
Rot. Bonds3

About 7-methoxy-7-methyl-3-methylsulfanyl-2-(sulfanylmethyl)benzo[c]fluoren-5-ol

7-methoxy-7-methyl-3-methylsulfanyl-2-(sulfanylmethyl)benzo[c]fluoren-5-ol (PubChem CID 87693158) has the molecular formula C21H20O2S2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 7-methoxy-7-methyl-3-methylsulfanyl-2-(sulfanylmethyl)benzo[c]fluoren-5-ol.

Molecular Properties

Compound Name7-methoxy-7-methyl-3-methylsulfanyl-2-(sulfanylmethyl)benzo[c]fluoren-5-ol
PubChem CID87693158
Molecular FormulaC21H20O2S2
Molecular Weight368.52 g/mol
Exact Mass368.09
IUPAC Name7-methoxy-7-methyl-3-methylsulfanyl-2-(sulfanylmethyl)benzo[c]fluoren-5-ol
SMILESCOC1(C)c2ccccc2-c2c1cc(O)c1cc(SC)c(CS)cc21
InChIInChI=1S/C21H20O2S2/c1-21(23-2)16-7-5-4-6-13(16)20-15-8-12(11-24)19(25-3)9-14(15)18(22)10-17(20)21/h4-10,22,24H,11H2,1-3H3
InChIKeyILVVEOSAULOVSZ-UHFFFAOYSA-N
XLogP5.59
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1',1',2,5',5'-pentamethyl-3-methylsulfanylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol
CID 69097264
7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol
CID 170317987
ethane;9-methoxy-9-methylfluorene
CID 91285741
3-(2,6-dimethylphenyl)sulfanyl-2-(hydroxymethyl)-1',1',5',5'-tetramethylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol
CID 90337871
2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol
CID 67228250
7-ethyl-3-methoxybenzo[c]fluorene-5,7-diol
CID 68850071
3-bromo-7,7-dimethylbenzo[c]fluoren-5-ol
CID 68526611
3-methylsulfanyl-4-(sulfanylmethyl)phenol
CID 135196113
2-[4-(dimethylamino)-2-methylphenyl]sulfanyl-1',1'-diethyl-3-methoxyspiro[benzo[c]fluorene-7,4'-cyclohexane]-5-ol
CID 90305347
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
2-cyclohexa-1,5-dien-1-ylsulfanyl-1',1'-diethyl-3-methoxyspiro[benzo[c]fluorene-7,4'-cyclohexane]-5-ol
CID 167194579
6,11-dihydroxy-8,9-bis(methylsulfanyl)tetracene-5,12-dione
CID 70940434

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-7-methyl-3-methylsulfanyl-2-(sulfanylmethyl)benzo[c]fluoren-5-ol?
The IUPAC name of 7-methoxy-7-methyl-3-methylsulfanyl-2-(sulfanylmethyl)benzo[c]fluoren-5-ol (CID 87693158) is 7-methoxy-7-methyl-3-methylsulfanyl-2-(sulfanylmethyl)benzo[c]fluoren-5-ol.
What is the SMILES notation for 7-methoxy-7-methyl-3-methylsulfanyl-2-(sulfanylmethyl)benzo[c]fluoren-5-ol?
The canonical SMILES for 7-methoxy-7-methyl-3-methylsulfanyl-2-(sulfanylmethyl)benzo[c]fluoren-5-ol is COC1(C)c2ccccc2-c2c1cc(O)c1cc(SC)c(CS)cc21.
What is the InChIKey of 7-methoxy-7-methyl-3-methylsulfanyl-2-(sulfanylmethyl)benzo[c]fluoren-5-ol?
The InChIKey is ILVVEOSAULOVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2S2/c1-21(23-2)16-7-5-4-6-13(16)20-15-8-12(11-24)19(25-3)9-14(15)18(22)10-17(20)21/h4-10,22,24H,11H2,1-3H3.
What are the key properties of 7-methoxy-7-methyl-3-methylsulfanyl-2-(sulfanylmethyl)benzo[c]fluoren-5-ol?
7-methoxy-7-methyl-3-methylsulfanyl-2-(sulfanylmethyl)benzo[c]fluoren-5-ol has a molecular weight of 368.52 g/mol, XLogP of 5.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-7-methyl-3-methylsulfanyl-2-(sulfanylmethyl)benzo[c]fluoren-5-ol is sourced from PubChem (CID 87693158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).