methyl 7-chlorophenanthrene-9-carboxylate

C16H11ClO2 — CID 10730795

IUPACmethyl 7-chlorophenanthrene-9-carboxylate
SMILESCOC(=O)c1cc2ccccc2c2ccc(Cl)cc12
InChIInChI=1S/C16H11ClO2/c1-19-16(18)15-8-10-4-2-3-5-12(10)13-7-6-11(17)9-14(13)15/h2-9H,1H3
InChIKeyJRYUASHIMHGNPZ-UHFFFAOYSA-N
MW270.72 g/mol
LogP4.43
Rot. Bonds1

About methyl 7-chlorophenanthrene-9-carboxylate

methyl 7-chlorophenanthrene-9-carboxylate (PubChem CID 10730795) has the molecular formula C16H11ClO2 and a molecular weight of 270.72 g/mol. Its IUPAC name is methyl 7-chlorophenanthrene-9-carboxylate.

Molecular Properties

Compound Namemethyl 7-chlorophenanthrene-9-carboxylate
PubChem CID10730795
Molecular FormulaC16H11ClO2
Molecular Weight270.72 g/mol
Exact Mass270.04
IUPAC Namemethyl 7-chlorophenanthrene-9-carboxylate
SMILESCOC(=O)c1cc2ccccc2c2ccc(Cl)cc12
InChIInChI=1S/C16H11ClO2/c1-19-16(18)15-8-10-4-2-3-5-12(10)13-7-6-11(17)9-14(13)15/h2-9H,1H3
InChIKeyJRYUASHIMHGNPZ-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-aminonaphthalene-1-carboxylate;methyl 3-chloronaphthalene-1-carboxylate
CID 159342041
methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 10905491
methyl 3-bromonaphthalene-1-carboxylate
CID 11311609
methyl 3-bromophenanthrene-9-carboxylate
CID 15646920
dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate
CID 2752722
methyl 6-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,7,9,11-hexaene-2-carboxylate
CID 67852024
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
methyl 3-hydroxy-4-iodonaphthalene-2-carboxylate
CID 139922575
methyl 7-chloro-2-(methylamino)quinoline-4-carboxylate
CID 84634022
methyl 3-methylsulfinylnaphthalene-1-carboxylate
CID 22622393
methyl 11,16-dioxatricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaene-9-carboxylate
CID 102098677
methyl 1-methylnaphthalene-2-carboxylate
CID 13491498

Frequently Asked Questions

What is the IUPAC name of methyl 7-chlorophenanthrene-9-carboxylate?
The IUPAC name of methyl 7-chlorophenanthrene-9-carboxylate (CID 10730795) is methyl 7-chlorophenanthrene-9-carboxylate.
What is the SMILES notation for methyl 7-chlorophenanthrene-9-carboxylate?
The canonical SMILES for methyl 7-chlorophenanthrene-9-carboxylate is COC(=O)c1cc2ccccc2c2ccc(Cl)cc12.
What is the InChIKey of methyl 7-chlorophenanthrene-9-carboxylate?
The InChIKey is JRYUASHIMHGNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO2/c1-19-16(18)15-8-10-4-2-3-5-12(10)13-7-6-11(17)9-14(13)15/h2-9H,1H3.
What are the key properties of methyl 7-chlorophenanthrene-9-carboxylate?
methyl 7-chlorophenanthrene-9-carboxylate has a molecular weight of 270.72 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chlorophenanthrene-9-carboxylate is sourced from PubChem (CID 10730795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).