1-chloro-3,4,5-trimethoxy-9H-fluorene

C16H15ClO3 — CID 151569744

IUPAC1-chloro-3,4,5-trimethoxy-9H-fluorene
SMILESCOc1cc(Cl)c2c(c1OC)-c1c(cccc1OC)C2
InChIInChI=1S/C16H15ClO3/c1-18-12-6-4-5-9-7-10-11(17)8-13(19-2)16(20-3)15(10)14(9)12/h4-6,8H,7H2,1-3H3
InChIKeyQEEUAQXIRYHABO-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.94
Rot. Bonds3

About 1-chloro-3,4,5-trimethoxy-9H-fluorene

1-chloro-3,4,5-trimethoxy-9H-fluorene (PubChem CID 151569744) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-chloro-3,4,5-trimethoxy-9H-fluorene.

Molecular Properties

Compound Name1-chloro-3,4,5-trimethoxy-9H-fluorene
PubChem CID151569744
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name1-chloro-3,4,5-trimethoxy-9H-fluorene
SMILESCOc1cc(Cl)c2c(c1OC)-c1c(cccc1OC)C2
InChIInChI=1S/C16H15ClO3/c1-18-12-6-4-5-9-7-10-11(17)8-13(19-2)16(20-3)15(10)14(9)12/h4-6,8H,7H2,1-3H3
InChIKeyQEEUAQXIRYHABO-UHFFFAOYSA-N
XLogP3.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,4,5-trimethoxy-9H-fluorene?
The IUPAC name of 1-chloro-3,4,5-trimethoxy-9H-fluorene (CID 151569744) is 1-chloro-3,4,5-trimethoxy-9H-fluorene.
What is the SMILES notation for 1-chloro-3,4,5-trimethoxy-9H-fluorene?
The canonical SMILES for 1-chloro-3,4,5-trimethoxy-9H-fluorene is COc1cc(Cl)c2c(c1OC)-c1c(cccc1OC)C2.
What is the InChIKey of 1-chloro-3,4,5-trimethoxy-9H-fluorene?
The InChIKey is QEEUAQXIRYHABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-18-12-6-4-5-9-7-10-11(17)8-13(19-2)16(20-3)15(10)14(9)12/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-chloro-3,4,5-trimethoxy-9H-fluorene?
1-chloro-3,4,5-trimethoxy-9H-fluorene has a molecular weight of 290.75 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,4,5-trimethoxy-9H-fluorene is sourced from PubChem (CID 151569744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).