4-(2,4-dichloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]chromen-5a-yl)morpholine

C18H21Cl2NO2 — CID 622559

IUPAC4-(2,4-dichloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]chromen-5a-yl)morpholine
SMILESClc1cc(Cl)c2c(c1)C=C1CCCCCC1(N1CCOCC1)O2
InChIInChI=1S/C18H21Cl2NO2/c19-15-11-13-10-14-4-2-1-3-5-18(14,21-6-8-22-9-7-21)23-17(13)16(20)12-15/h10-12H,1-9H2
InChIKeyLDMWZMZQGQGXLD-UHFFFAOYSA-N
MW354.28 g/mol
LogP4.76
Rot. Bonds1

About 4-(2,4-dichloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]chromen-5a-yl)morpholine

4-(2,4-dichloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]chromen-5a-yl)morpholine (PubChem CID 622559) has the molecular formula C18H21Cl2NO2 and a molecular weight of 354.28 g/mol. Its IUPAC name is 4-(2,4-dichloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]chromen-5a-yl)morpholine.

Molecular Properties

Compound Name4-(2,4-dichloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]chromen-5a-yl)morpholine
PubChem CID622559
Molecular FormulaC18H21Cl2NO2
Molecular Weight354.28 g/mol
Exact Mass353.09
IUPAC Name4-(2,4-dichloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]chromen-5a-yl)morpholine
SMILESClc1cc(Cl)c2c(c1)C=C1CCCCCC1(N1CCOCC1)O2
InChIInChI=1S/C18H21Cl2NO2/c19-15-11-13-10-14-4-2-1-3-5-18(14,21-6-8-22-9-7-21)23-17(13)16(20)12-15/h10-12H,1-9H2
InChIKeyLDMWZMZQGQGXLD-UHFFFAOYSA-N
XLogP4.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]chromen-5a-yl)morpholine?
The IUPAC name of 4-(2,4-dichloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]chromen-5a-yl)morpholine (CID 622559) is 4-(2,4-dichloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]chromen-5a-yl)morpholine.
What is the SMILES notation for 4-(2,4-dichloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]chromen-5a-yl)morpholine?
The canonical SMILES for 4-(2,4-dichloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]chromen-5a-yl)morpholine is Clc1cc(Cl)c2c(c1)C=C1CCCCCC1(N1CCOCC1)O2.
What is the InChIKey of 4-(2,4-dichloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]chromen-5a-yl)morpholine?
The InChIKey is LDMWZMZQGQGXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO2/c19-15-11-13-10-14-4-2-1-3-5-18(14,21-6-8-22-9-7-21)23-17(13)16(20)12-15/h10-12H,1-9H2.
What are the key properties of 4-(2,4-dichloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]chromen-5a-yl)morpholine?
4-(2,4-dichloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]chromen-5a-yl)morpholine has a molecular weight of 354.28 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]chromen-5a-yl)morpholine is sourced from PubChem (CID 622559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).