5-chloro-2,8-dimethoxy-10-sulfanyloxy-11H-benzo[b]fluorene

C19H15ClO3S — CID 142087805

IUPAC5-chloro-2,8-dimethoxy-10-sulfanyloxy-11H-benzo[b]fluorene
SMILESCOc1ccc2c(c1)Cc1c-2c(Cl)c2ccc(OC)cc2c1OS
InChIInChI=1S/C19H15ClO3S/c1-21-11-3-5-13-10(7-11)8-16-17(13)18(20)14-6-4-12(22-2)9-15(14)19(16)23-24/h3-7,9,24H,8H2,1-2H3
InChIKeyUBMPEPKMQKRLPW-UHFFFAOYSA-N
MW358.85 g/mol
LogP5.31
Rot. Bonds3

About 5-chloro-2,8-dimethoxy-10-sulfanyloxy-11H-benzo[b]fluorene

5-chloro-2,8-dimethoxy-10-sulfanyloxy-11H-benzo[b]fluorene (PubChem CID 142087805) has the molecular formula C19H15ClO3S and a molecular weight of 358.85 g/mol. Its IUPAC name is 5-chloro-2,8-dimethoxy-10-sulfanyloxy-11H-benzo[b]fluorene.

Molecular Properties

Compound Name5-chloro-2,8-dimethoxy-10-sulfanyloxy-11H-benzo[b]fluorene
PubChem CID142087805
Molecular FormulaC19H15ClO3S
Molecular Weight358.85 g/mol
Exact Mass358.04
IUPAC Name5-chloro-2,8-dimethoxy-10-sulfanyloxy-11H-benzo[b]fluorene
SMILESCOc1ccc2c(c1)Cc1c-2c(Cl)c2ccc(OC)cc2c1OS
InChIInChI=1S/C19H15ClO3S/c1-21-11-3-5-13-10(7-11)8-16-17(13)18(20)14-6-4-12(22-2)9-15(14)19(16)23-24/h3-7,9,24H,8H2,1-2H3
InChIKeyUBMPEPKMQKRLPW-UHFFFAOYSA-N
XLogP5.31
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.85
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-8-ethyl-2-methoxy-10-propyl-11H-benzo[b]fluorene
CID 71160839
7-[3-(3-bromopropoxy)phenyl]-12-chloro-3,9-dimethoxy-5,6-dihydrobenzo[a]anthracene
CID 20737749
1,2,3,4,7-pentamethoxy-10H-anthracen-9-one
CID 141406927
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
3,4,7-trimethoxy-9H-fluoren-2-ol
CID 174383532
9-methoxy-11H-benzo[a]fluorene
CID 13401823
2,8-dimethoxy-11H-benzo[b]fluorene-10-carbaldehyde
CID 20616848
6-methoxy-4H-indeno[1,2-c]dithiole-3-thione
CID 22353901
3-(2-chloro-4-fluoro-3-methoxyphenyl)-7-methoxy-1,2-dihydronaphthalene
CID 54050552
dichlorozirconium;2,7-dimethoxy-1,9-dihydrofluoren-1-ide
CID 173247087
(2,8-dimethoxy-11H-benzo[b]fluoren-10-yl) trifluoromethanesulfonate
CID 20616855
7-methoxy-4,5-dihydro-1H-benzo[g]indole
CID 10535996

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,8-dimethoxy-10-sulfanyloxy-11H-benzo[b]fluorene?
The IUPAC name of 5-chloro-2,8-dimethoxy-10-sulfanyloxy-11H-benzo[b]fluorene (CID 142087805) is 5-chloro-2,8-dimethoxy-10-sulfanyloxy-11H-benzo[b]fluorene.
What is the SMILES notation for 5-chloro-2,8-dimethoxy-10-sulfanyloxy-11H-benzo[b]fluorene?
The canonical SMILES for 5-chloro-2,8-dimethoxy-10-sulfanyloxy-11H-benzo[b]fluorene is COc1ccc2c(c1)Cc1c-2c(Cl)c2ccc(OC)cc2c1OS.
What is the InChIKey of 5-chloro-2,8-dimethoxy-10-sulfanyloxy-11H-benzo[b]fluorene?
The InChIKey is UBMPEPKMQKRLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO3S/c1-21-11-3-5-13-10(7-11)8-16-17(13)18(20)14-6-4-12(22-2)9-15(14)19(16)23-24/h3-7,9,24H,8H2,1-2H3.
What are the key properties of 5-chloro-2,8-dimethoxy-10-sulfanyloxy-11H-benzo[b]fluorene?
5-chloro-2,8-dimethoxy-10-sulfanyloxy-11H-benzo[b]fluorene has a molecular weight of 358.85 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,8-dimethoxy-10-sulfanyloxy-11H-benzo[b]fluorene is sourced from PubChem (CID 142087805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).