1-chloro-2-methylphenanthrene

C15H11Cl — CID 121302628

IUPAC1-chloro-2-methylphenanthrene
SMILESCc1ccc2c(ccc3ccccc32)c1Cl
InChIInChI=1S/C15H11Cl/c1-10-6-8-13-12-5-3-2-4-11(12)7-9-14(13)15(10)16/h2-9H,1H3
InChIKeyGTDJOFCONDLOIQ-UHFFFAOYSA-N
MW226.71 g/mol
LogP4.95
Rot. Bonds

About 1-chloro-2-methylphenanthrene

1-chloro-2-methylphenanthrene (PubChem CID 121302628) has the molecular formula C15H11Cl and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-chloro-2-methylphenanthrene.

Molecular Properties

Compound Name1-chloro-2-methylphenanthrene
PubChem CID121302628
Molecular FormulaC15H11Cl
Molecular Weight226.71 g/mol
Exact Mass226.05
IUPAC Name1-chloro-2-methylphenanthrene
SMILESCc1ccc2c(ccc3ccccc32)c1Cl
InChIInChI=1S/C15H11Cl/c1-10-6-8-13-12-5-3-2-4-11(12)7-9-14(13)15(10)16/h2-9H,1H3
InChIKeyGTDJOFCONDLOIQ-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 54.95
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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Related Compounds

1-Chloronaphthalene
CID 7003
1-Methylphenanthrene
CID 13257
9-Methylanthracene
CID 13068
9-(Chloromethyl)anthracene
CID 32385
9,10-Bis(chloromethyl)anthracene
CID 25219
1-Methylanthracene
CID 11884
2-Methylanthracene
CID 11936
2-Methylphenanthrene
CID 17321
1,5-Dichloronaphthalene
CID 15768
7-Chloromethyl-12-methylbenz(a)anthracene
CID 83362
Pyrene, 1,3,6,8-tetrachloro-
CID 66473
2-Chloroanthracene
CID 28308

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylphenanthrene?
The IUPAC name of 1-chloro-2-methylphenanthrene (CID 121302628) is 1-chloro-2-methylphenanthrene.
What is the SMILES notation for 1-chloro-2-methylphenanthrene?
The canonical SMILES for 1-chloro-2-methylphenanthrene is Cc1ccc2c(ccc3ccccc32)c1Cl.
What is the InChIKey of 1-chloro-2-methylphenanthrene?
The InChIKey is GTDJOFCONDLOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl/c1-10-6-8-13-12-5-3-2-4-11(12)7-9-14(13)15(10)16/h2-9H,1H3.
What are the key properties of 1-chloro-2-methylphenanthrene?
1-chloro-2-methylphenanthrene has a molecular weight of 226.71 g/mol, XLogP of 4.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylphenanthrene is sourced from PubChem (CID 121302628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).