2-chloro-4H-phenanthrene-1,3-dione

C14H9ClO2 — CID 70480508

IUPAC2-chloro-4H-phenanthrene-1,3-dione
SMILESO=C1Cc2c(ccc3ccccc23)C(=O)C1Cl
InChIInChI=1S/C14H9ClO2/c15-13-12(16)7-11-9-4-2-1-3-8(9)5-6-10(11)14(13)17/h1-6,13H,7H2
InChIKeyYHCIULMILVDQCR-UHFFFAOYSA-N
MW244.68 g/mol
LogP2.76
Rot. Bonds

About 2-chloro-4H-phenanthrene-1,3-dione

2-chloro-4H-phenanthrene-1,3-dione (PubChem CID 70480508) has the molecular formula C14H9ClO2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-chloro-4H-phenanthrene-1,3-dione.

Molecular Properties

Compound Name2-chloro-4H-phenanthrene-1,3-dione
PubChem CID70480508
Molecular FormulaC14H9ClO2
Molecular Weight244.68 g/mol
Exact Mass244.03
IUPAC Name2-chloro-4H-phenanthrene-1,3-dione
SMILESO=C1Cc2c(ccc3ccccc23)C(=O)C1Cl
InChIInChI=1S/C14H9ClO2/c15-13-12(16)7-11-9-4-2-1-3-8(9)5-6-10(11)14(13)17/h1-6,13H,7H2
InChIKeyYHCIULMILVDQCR-UHFFFAOYSA-N
XLogP2.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4H-anthracene-1,3-dione
CID 18401951
2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride
CID 141017293
decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
CID 160943205
undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene
CID 158563548
methyl 1-oxo-3,4-dihydro-2H-phenanthrene-2-sulfonate
CID 24975192
14-chloro-13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene
CID 20820440
8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene
CID 159418774
11H-naphtho[2,1-f][1,2,3]benzotriazin-12-one
CID 68756038
3-(1,2,4-trioxophenanthren-3-yl)phenanthrene-1,2,4-trione
CID 10343512
3-bromopentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 159448071
13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 154087157
1-chloro-1H-cyclopropa[a]naphthalene
CID 67741182

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4H-phenanthrene-1,3-dione?
The IUPAC name of 2-chloro-4H-phenanthrene-1,3-dione (CID 70480508) is 2-chloro-4H-phenanthrene-1,3-dione.
What is the SMILES notation for 2-chloro-4H-phenanthrene-1,3-dione?
The canonical SMILES for 2-chloro-4H-phenanthrene-1,3-dione is O=C1Cc2c(ccc3ccccc23)C(=O)C1Cl.
What is the InChIKey of 2-chloro-4H-phenanthrene-1,3-dione?
The InChIKey is YHCIULMILVDQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO2/c15-13-12(16)7-11-9-4-2-1-3-8(9)5-6-10(11)14(13)17/h1-6,13H,7H2.
What are the key properties of 2-chloro-4H-phenanthrene-1,3-dione?
2-chloro-4H-phenanthrene-1,3-dione has a molecular weight of 244.68 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4H-phenanthrene-1,3-dione is sourced from PubChem (CID 70480508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).