3-(benzenesulfonyl)-7,8,10,12-tetramethylbenzo[a]heptalene-2,4-diol

C26H24O4S — CID 15857549

IUPAC3-(benzenesulfonyl)-7,8,10,12-tetramethylbenzo[a]heptalene-2,4-diol
SMILESCC1=CC(C)=C2C(C)=CC=c3c(O)c(S(=O)(=O)c4ccccc4)c(O)cc3=C2C(C)=C1
InChIInChI=1S/C26H24O4S/c1-15-12-17(3)23-16(2)10-11-20-21(24(23)18(4)13-15)14-22(27)26(25(20)28)31(29,30)19-8-6-5-7-9-19/h5-14,27-28H,1-4H3
InChIKeyZXHNYTPOUSNSPC-UHFFFAOYSA-N
MW432.54 g/mol
LogP4.04
Rot. Bonds2

About 3-(benzenesulfonyl)-7,8,10,12-tetramethylbenzo[a]heptalene-2,4-diol

3-(benzenesulfonyl)-7,8,10,12-tetramethylbenzo[a]heptalene-2,4-diol (PubChem CID 15857549) has the molecular formula C26H24O4S and a molecular weight of 432.54 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7,8,10,12-tetramethylbenzo[a]heptalene-2,4-diol.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7,8,10,12-tetramethylbenzo[a]heptalene-2,4-diol
PubChem CID15857549
Molecular FormulaC26H24O4S
Molecular Weight432.54 g/mol
Exact Mass432.14
IUPAC Name3-(benzenesulfonyl)-7,8,10,12-tetramethylbenzo[a]heptalene-2,4-diol
SMILESCC1=CC(C)=C2C(C)=CC=c3c(O)c(S(=O)(=O)c4ccccc4)c(O)cc3=C2C(C)=C1
InChIInChI=1S/C26H24O4S/c1-15-12-17(3)23-16(2)10-11-20-21(24(23)18(4)13-15)14-22(27)26(25(20)28)31(29,30)19-8-6-5-7-9-19/h5-14,27-28H,1-4H3
InChIKeyZXHNYTPOUSNSPC-UHFFFAOYSA-N
XLogP4.04
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(benzenesulfonyl)-7,8,10,12-tetramethylbenzo[a]heptalene-2,4-diol with MolForge

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Related Compounds

2,7-Dihydroxy-4-methyl-5-(phenylsulfonyl)cyclohepta-2,4,6-trienone
CID 132051007
5-(Benzenesulfonyl)-3,7-dimethylocta-1,6-dien-3-ol
CID 131854697
3-(Benzenesulfonyl)-7,12-dimethyl-9-propan-2-ylbenzo[a]heptalene-2,4-diol
CID 12109965
3-(Benzenesulfonyl)-1,7,12-trimethyl-9-propan-2-ylbenzo[a]heptalene-2,4-diol
CID 12109966
2-(Benzenesulfonyl)-4,7,12-trimethyl-9-propan-2-ylbenzo[a]heptalene-1,3-diol
CID 12109967
2-(Benzenesulfonyl)-1,3-dimethoxy-4,7,12-trimethyl-9-propan-2-ylbenzo[a]heptalene
CID 12109971
3-(Benzenesulfonyl)-8,10,12-trimethylbenzo[a]heptalene-2,4-diol
CID 85766827
4-Phenylsulfonylhydroquinone
CID 129790643
(4Z,7E)-8-(benzenesulfonyl)-4-methylnona-4,7-dien-3-ol
CID 134981803
3-(Benzenesulfonyl)-4-methyl-1-(3-methylbut-2-en-2-yl)cyclopent-2-en-1-ol
CID 135049709
(2E,6E)-8-(benzenesulfonyl)-2,6-dimethylocta-2,6-dien-1-ol
CID 11000894
4-(Benzenesulfonyl)-6,6-dimethylcyclohexa-2,4-diene-1,1-diol
CID 18471324

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-7,8,10,12-tetramethylbenzo[a]heptalene-2,4-diol?
The IUPAC name of 3-(benzenesulfonyl)-7,8,10,12-tetramethylbenzo[a]heptalene-2,4-diol (CID 15857549) is 3-(benzenesulfonyl)-7,8,10,12-tetramethylbenzo[a]heptalene-2,4-diol.
What is the SMILES notation for 3-(benzenesulfonyl)-7,8,10,12-tetramethylbenzo[a]heptalene-2,4-diol?
The canonical SMILES for 3-(benzenesulfonyl)-7,8,10,12-tetramethylbenzo[a]heptalene-2,4-diol is CC1=CC(C)=C2C(C)=CC=c3c(O)c(S(=O)(=O)c4ccccc4)c(O)cc3=C2C(C)=C1.
What is the InChIKey of 3-(benzenesulfonyl)-7,8,10,12-tetramethylbenzo[a]heptalene-2,4-diol?
The InChIKey is ZXHNYTPOUSNSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O4S/c1-15-12-17(3)23-16(2)10-11-20-21(24(23)18(4)13-15)14-22(27)26(25(20)28)31(29,30)19-8-6-5-7-9-19/h5-14,27-28H,1-4H3.
What are the key properties of 3-(benzenesulfonyl)-7,8,10,12-tetramethylbenzo[a]heptalene-2,4-diol?
3-(benzenesulfonyl)-7,8,10,12-tetramethylbenzo[a]heptalene-2,4-diol has a molecular weight of 432.54 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-7,8,10,12-tetramethylbenzo[a]heptalene-2,4-diol is sourced from PubChem (CID 15857549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).