2,7-bis(chloromethyl)phenanthrene

C16H12Cl2 — CID 139627451

IUPAC2,7-bis(chloromethyl)phenanthrene
SMILESClCc1ccc2c(ccc3cc(CCl)ccc32)c1
InChIInChI=1S/C16H12Cl2/c17-9-11-1-5-15-13(7-11)3-4-14-8-12(10-18)2-6-16(14)15/h1-8H,9-10H2
InChIKeySYDMGMLCNVNWSR-UHFFFAOYSA-N
MW275.18 g/mol
LogP5.47
Rot. Bonds2

About 2,7-bis(chloromethyl)phenanthrene

2,7-bis(chloromethyl)phenanthrene (PubChem CID 139627451) has the molecular formula C16H12Cl2 and a molecular weight of 275.18 g/mol. Its IUPAC name is 2,7-bis(chloromethyl)phenanthrene.

Molecular Properties

Compound Name2,7-bis(chloromethyl)phenanthrene
PubChem CID139627451
Molecular FormulaC16H12Cl2
Molecular Weight275.18 g/mol
Exact Mass274.03
IUPAC Name2,7-bis(chloromethyl)phenanthrene
SMILESClCc1ccc2c(ccc3cc(CCl)ccc32)c1
InChIInChI=1S/C16H12Cl2/c17-9-11-1-5-15-13(7-11)3-4-14-8-12(10-18)2-6-16(14)15/h1-8H,9-10H2
InChIKeySYDMGMLCNVNWSR-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.18
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-6-iodonaphthalene
CID 124706982
2,7-bis(chloromethyl)pyrene
CID 139627450
2-(chloromethyl)triphenylene
CID 154200768
2,7-bis(chloromethyl)acridine
CID 132525566
3-(chloromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 11804968
5-(chloromethyl)-1-benzofuran
CID 54069342
2-ethyl-7-methylphenanthrene
CID 59758331
[6-(chloromethyl)naphthalen-2-yl]-(4-methoxyphenyl)iodanium
CID 71814531
6-(chloromethyl)-2-(trifluoromethyl)quinoline
CID 21082225
2,6-dichlorophenanthrene
CID 123290984
5-(chloromethyl)-1,2-benzothiazole
CID 121231926
(6-bromophenanthren-2-yl)methanol
CID 15159139

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(chloromethyl)phenanthrene?
The IUPAC name of 2,7-bis(chloromethyl)phenanthrene (CID 139627451) is 2,7-bis(chloromethyl)phenanthrene.
What is the SMILES notation for 2,7-bis(chloromethyl)phenanthrene?
The canonical SMILES for 2,7-bis(chloromethyl)phenanthrene is ClCc1ccc2c(ccc3cc(CCl)ccc32)c1.
What is the InChIKey of 2,7-bis(chloromethyl)phenanthrene?
The InChIKey is SYDMGMLCNVNWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2/c17-9-11-1-5-15-13(7-11)3-4-14-8-12(10-18)2-6-16(14)15/h1-8H,9-10H2.
What are the key properties of 2,7-bis(chloromethyl)phenanthrene?
2,7-bis(chloromethyl)phenanthrene has a molecular weight of 275.18 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(chloromethyl)phenanthrene is sourced from PubChem (CID 139627451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).