9-(2-bromophenyl)-3-chloro-10-methylphenanthrene

C21H14BrCl — CID 146568672

IUPAC9-(2-bromophenyl)-3-chloro-10-methylphenanthrene
SMILESCc1c(-c2ccccc2Br)c2ccccc2c2cc(Cl)ccc12
InChIInChI=1S/C21H14BrCl/c1-13-15-11-10-14(23)12-19(15)16-6-2-3-7-17(16)21(13)18-8-4-5-9-20(18)22/h2-12H,1H3
InChIKeyOOGKBOSEBCDVAP-UHFFFAOYSA-N
MW381.70 g/mol
LogP7.38
Rot. Bonds1

About 9-(2-bromophenyl)-3-chloro-10-methylphenanthrene

9-(2-bromophenyl)-3-chloro-10-methylphenanthrene (PubChem CID 146568672) has the molecular formula C21H14BrCl and a molecular weight of 381.70 g/mol. Its IUPAC name is 9-(2-bromophenyl)-3-chloro-10-methylphenanthrene.

Molecular Properties

Compound Name9-(2-bromophenyl)-3-chloro-10-methylphenanthrene
PubChem CID146568672
Molecular FormulaC21H14BrCl
Molecular Weight381.70 g/mol
Exact Mass380.00
IUPAC Name9-(2-bromophenyl)-3-chloro-10-methylphenanthrene
SMILESCc1c(-c2ccccc2Br)c2ccccc2c2cc(Cl)ccc12
InChIInChI=1S/C21H14BrCl/c1-13-15-11-10-14(23)12-19(15)16-6-2-3-7-17(16)21(13)18-8-4-5-9-20(18)22/h2-12H,1H3
InChIKeyOOGKBOSEBCDVAP-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.70
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(2-bromophenyl)-3-chloro-10-methylphenanthrene?
The IUPAC name of 9-(2-bromophenyl)-3-chloro-10-methylphenanthrene (CID 146568672) is 9-(2-bromophenyl)-3-chloro-10-methylphenanthrene.
What is the SMILES notation for 9-(2-bromophenyl)-3-chloro-10-methylphenanthrene?
The canonical SMILES for 9-(2-bromophenyl)-3-chloro-10-methylphenanthrene is Cc1c(-c2ccccc2Br)c2ccccc2c2cc(Cl)ccc12.
What is the InChIKey of 9-(2-bromophenyl)-3-chloro-10-methylphenanthrene?
The InChIKey is OOGKBOSEBCDVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrCl/c1-13-15-11-10-14(23)12-19(15)16-6-2-3-7-17(16)21(13)18-8-4-5-9-20(18)22/h2-12H,1H3.
What are the key properties of 9-(2-bromophenyl)-3-chloro-10-methylphenanthrene?
9-(2-bromophenyl)-3-chloro-10-methylphenanthrene has a molecular weight of 381.70 g/mol, XLogP of 7.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bromophenyl)-3-chloro-10-methylphenanthrene is sourced from PubChem (CID 146568672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).