9-bromo-3-chloro-8,9,10,11-tetrahydro-6H-naphtho[7,6-c]chromene-8-carbaldehyde

C18H14BrClO2 — CID 174704127

IUPAC9-bromo-3-chloro-8,9,10,11-tetrahydro-6H-naphtho[7,6-c]chromene-8-carbaldehyde
SMILESO=CC1c2cc3c(cc2CCC1Br)-c1ccc(Cl)cc1OC3
InChIInChI=1S/C18H14BrClO2/c19-17-4-1-10-5-15-11(6-14(10)16(17)8-21)9-22-18-7-12(20)2-3-13(15)18/h2-3,5-8,16-17H,1,4,9H2
InChIKeyWADDWAOWUDDABI-UHFFFAOYSA-N
MW377.67 g/mol
LogP4.89
Rot. Bonds1

About 9-bromo-3-chloro-8,9,10,11-tetrahydro-6H-naphtho[7,6-c]chromene-8-carbaldehyde

9-bromo-3-chloro-8,9,10,11-tetrahydro-6H-naphtho[7,6-c]chromene-8-carbaldehyde (PubChem CID 174704127) has the molecular formula C18H14BrClO2 and a molecular weight of 377.67 g/mol. Its IUPAC name is 9-bromo-3-chloro-8,9,10,11-tetrahydro-6H-naphtho[7,6-c]chromene-8-carbaldehyde.

Molecular Properties

Compound Name9-bromo-3-chloro-8,9,10,11-tetrahydro-6H-naphtho[7,6-c]chromene-8-carbaldehyde
PubChem CID174704127
Molecular FormulaC18H14BrClO2
Molecular Weight377.67 g/mol
Exact Mass375.99
IUPAC Name9-bromo-3-chloro-8,9,10,11-tetrahydro-6H-naphtho[7,6-c]chromene-8-carbaldehyde
SMILESO=CC1c2cc3c(cc2CCC1Br)-c1ccc(Cl)cc1OC3
InChIInChI=1S/C18H14BrClO2/c19-17-4-1-10-5-15-11(6-14(10)16(17)8-21)9-22-18-7-12(20)2-3-13(15)18/h2-3,5-8,16-17H,1,4,9H2
InChIKeyWADDWAOWUDDABI-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.67
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-3-chloro-8,9,10,11-tetrahydro-6H-naphtho[7,6-c]chromene-8-carbaldehyde?
The IUPAC name of 9-bromo-3-chloro-8,9,10,11-tetrahydro-6H-naphtho[7,6-c]chromene-8-carbaldehyde (CID 174704127) is 9-bromo-3-chloro-8,9,10,11-tetrahydro-6H-naphtho[7,6-c]chromene-8-carbaldehyde.
What is the SMILES notation for 9-bromo-3-chloro-8,9,10,11-tetrahydro-6H-naphtho[7,6-c]chromene-8-carbaldehyde?
The canonical SMILES for 9-bromo-3-chloro-8,9,10,11-tetrahydro-6H-naphtho[7,6-c]chromene-8-carbaldehyde is O=CC1c2cc3c(cc2CCC1Br)-c1ccc(Cl)cc1OC3.
What is the InChIKey of 9-bromo-3-chloro-8,9,10,11-tetrahydro-6H-naphtho[7,6-c]chromene-8-carbaldehyde?
The InChIKey is WADDWAOWUDDABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClO2/c19-17-4-1-10-5-15-11(6-14(10)16(17)8-21)9-22-18-7-12(20)2-3-13(15)18/h2-3,5-8,16-17H,1,4,9H2.
What are the key properties of 9-bromo-3-chloro-8,9,10,11-tetrahydro-6H-naphtho[7,6-c]chromene-8-carbaldehyde?
9-bromo-3-chloro-8,9,10,11-tetrahydro-6H-naphtho[7,6-c]chromene-8-carbaldehyde has a molecular weight of 377.67 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-3-chloro-8,9,10,11-tetrahydro-6H-naphtho[7,6-c]chromene-8-carbaldehyde is sourced from PubChem (CID 174704127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).