5-chloro-8-ethyl-2-methoxy-10-propyl-11H-benzo[b]fluorene

C23H23ClO — CID 71160839

IUPAC5-chloro-8-ethyl-2-methoxy-10-propyl-11H-benzo[b]fluorene
SMILESCCCc1c2c(c(Cl)c3ccc(CC)cc13)-c1ccc(OC)cc1C2
InChIInChI=1S/C23H23ClO/c1-4-6-18-20-11-14(5-2)7-9-19(20)23(24)22-17-10-8-16(25-3)12-15(17)13-21(18)22/h7-12H,4-6,13H2,1-3H3
InChIKeyWMXBBQBCRZGXNS-UHFFFAOYSA-N
MW350.89 g/mol
LogP6.59
Rot. Bonds4

About 5-chloro-8-ethyl-2-methoxy-10-propyl-11H-benzo[b]fluorene

5-chloro-8-ethyl-2-methoxy-10-propyl-11H-benzo[b]fluorene (PubChem CID 71160839) has the molecular formula C23H23ClO and a molecular weight of 350.89 g/mol. Its IUPAC name is 5-chloro-8-ethyl-2-methoxy-10-propyl-11H-benzo[b]fluorene.

Molecular Properties

Compound Name5-chloro-8-ethyl-2-methoxy-10-propyl-11H-benzo[b]fluorene
PubChem CID71160839
Molecular FormulaC23H23ClO
Molecular Weight350.89 g/mol
Exact Mass350.14
IUPAC Name5-chloro-8-ethyl-2-methoxy-10-propyl-11H-benzo[b]fluorene
SMILESCCCc1c2c(c(Cl)c3ccc(CC)cc13)-c1ccc(OC)cc1C2
InChIInChI=1S/C23H23ClO/c1-4-6-18-20-11-14(5-2)7-9-19(20)23(24)22-17-10-8-16(25-3)12-15(17)13-21(18)22/h7-12H,4-6,13H2,1-3H3
InChIKeyWMXBBQBCRZGXNS-UHFFFAOYSA-N
XLogP6.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.89
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-ethyl-2-methoxy-10-propyl-11H-benzo[b]fluorene?
The IUPAC name of 5-chloro-8-ethyl-2-methoxy-10-propyl-11H-benzo[b]fluorene (CID 71160839) is 5-chloro-8-ethyl-2-methoxy-10-propyl-11H-benzo[b]fluorene.
What is the SMILES notation for 5-chloro-8-ethyl-2-methoxy-10-propyl-11H-benzo[b]fluorene?
The canonical SMILES for 5-chloro-8-ethyl-2-methoxy-10-propyl-11H-benzo[b]fluorene is CCCc1c2c(c(Cl)c3ccc(CC)cc13)-c1ccc(OC)cc1C2.
What is the InChIKey of 5-chloro-8-ethyl-2-methoxy-10-propyl-11H-benzo[b]fluorene?
The InChIKey is WMXBBQBCRZGXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClO/c1-4-6-18-20-11-14(5-2)7-9-19(20)23(24)22-17-10-8-16(25-3)12-15(17)13-21(18)22/h7-12H,4-6,13H2,1-3H3.
What are the key properties of 5-chloro-8-ethyl-2-methoxy-10-propyl-11H-benzo[b]fluorene?
5-chloro-8-ethyl-2-methoxy-10-propyl-11H-benzo[b]fluorene has a molecular weight of 350.89 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-ethyl-2-methoxy-10-propyl-11H-benzo[b]fluorene is sourced from PubChem (CID 71160839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).