11-(4-methoxyphenyl)-6H-benzo[c][1]benzothiepin-11-ol

C21H18O2S — CID 12006962

IUPAC11-(4-methoxyphenyl)-6H-benzo[c][1]benzothiepin-11-ol
SMILESCOc1ccc(C2(O)c3ccccc3CSc3ccccc32)cc1
InChIInChI=1S/C21H18O2S/c1-23-17-12-10-16(11-13-17)21(22)18-7-3-2-6-15(18)14-24-20-9-5-4-8-19(20)21/h2-13,22H,14H2,1H3
InChIKeyOXADKEJWZZUOKV-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.59
Rot. Bonds2

About 11-(4-methoxyphenyl)-6H-benzo[c][1]benzothiepin-11-ol

11-(4-methoxyphenyl)-6H-benzo[c][1]benzothiepin-11-ol (PubChem CID 12006962) has the molecular formula C21H18O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is 11-(4-methoxyphenyl)-6H-benzo[c][1]benzothiepin-11-ol.

Molecular Properties

Compound Name11-(4-methoxyphenyl)-6H-benzo[c][1]benzothiepin-11-ol
PubChem CID12006962
Molecular FormulaC21H18O2S
Molecular Weight334.44 g/mol
Exact Mass334.10
IUPAC Name11-(4-methoxyphenyl)-6H-benzo[c][1]benzothiepin-11-ol
SMILESCOc1ccc(C2(O)c3ccccc3CSc3ccccc32)cc1
InChIInChI=1S/C21H18O2S/c1-23-17-12-10-16(11-13-17)21(22)18-7-3-2-6-15(18)14-24-20-9-5-4-8-19(20)21/h2-13,22H,14H2,1H3
InChIKeyOXADKEJWZZUOKV-UHFFFAOYSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

11-[4-[(dimethylamino)methyl]phenyl]-6H-benzo[c][1]benzothiepin-11-ol
CID 14594833
9-(4-methoxyphenyl)xanthen-9-ol
CID 139147484
(11R)-11-[3-(dimethylamino)propyl]-3-methoxy-6H-benzo[c][1]benzothiepin-11-ol
CID 95988894
2-(4-methoxyphenyl)-1,3-dihydroinden-2-ol
CID 15112860
3-(4-methoxyphenyl)-2-methylidene-1H-indol-3-ol
CID 144593400
11-ethoxy-11-phenyl-6H-benzo[c][1]benzothiepine
CID 13029850
(1R,17S)-9-(4-methoxyphenyl)-20-oxapentacyclo[15.2.1.02,16.03,8.010,15]icosa-2(16),3,5,7,10,12,14,18-octaen-9-ol
CID 11749319
8-methoxy-6H-benzo[c][1]benzothiepin-11-one
CID 125471407
1,2-bis(4-methoxyphenyl)acenaphthylene-1,2-diol
CID 72802652
4-hydroxy-4-(4-methoxyphenyl)-2,3-dihydronaphthalen-1-one
CID 13408691
3-amino-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 107089666
1-(2H-1,4-benzothiazin-3-yl)-1-(4-methoxyphenyl)urea
CID 57346610

Frequently Asked Questions

What is the IUPAC name of 11-(4-methoxyphenyl)-6H-benzo[c][1]benzothiepin-11-ol?
The IUPAC name of 11-(4-methoxyphenyl)-6H-benzo[c][1]benzothiepin-11-ol (CID 12006962) is 11-(4-methoxyphenyl)-6H-benzo[c][1]benzothiepin-11-ol.
What is the SMILES notation for 11-(4-methoxyphenyl)-6H-benzo[c][1]benzothiepin-11-ol?
The canonical SMILES for 11-(4-methoxyphenyl)-6H-benzo[c][1]benzothiepin-11-ol is COc1ccc(C2(O)c3ccccc3CSc3ccccc32)cc1.
What is the InChIKey of 11-(4-methoxyphenyl)-6H-benzo[c][1]benzothiepin-11-ol?
The InChIKey is OXADKEJWZZUOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2S/c1-23-17-12-10-16(11-13-17)21(22)18-7-3-2-6-15(18)14-24-20-9-5-4-8-19(20)21/h2-13,22H,14H2,1H3.
What are the key properties of 11-(4-methoxyphenyl)-6H-benzo[c][1]benzothiepin-11-ol?
11-(4-methoxyphenyl)-6H-benzo[c][1]benzothiepin-11-ol has a molecular weight of 334.44 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-methoxyphenyl)-6H-benzo[c][1]benzothiepin-11-ol is sourced from PubChem (CID 12006962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).