13-chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),3,5,7,9,16,18,20,22-nonaene

C20H14ClO2P — CID 15965597

IUPAC13-chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),3,5,7,9,16,18,20,22-nonaene
SMILESClP1Oc2ccc3ccccc3c2C2c3ccccc3C=CC2O1
InChIInChI=1S/C20H14ClO2P/c21-24-22-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)23-24/h1-12,17,19H
InChIKeyDFRJCVXBAPTBSU-UHFFFAOYSA-N
MW352.76 g/mol
LogP6.24
Rot. Bonds

About 13-chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),3,5,7,9,16,18,20,22-nonaene

13-chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),3,5,7,9,16,18,20,22-nonaene (PubChem CID 15965597) has the molecular formula C20H14ClO2P and a molecular weight of 352.76 g/mol. Its IUPAC name is 13-chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),3,5,7,9,16,18,20,22-nonaene.

Molecular Properties

Compound Name13-chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),3,5,7,9,16,18,20,22-nonaene
PubChem CID15965597
Molecular FormulaC20H14ClO2P
Molecular Weight352.76 g/mol
Exact Mass352.04
IUPAC Name13-chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),3,5,7,9,16,18,20,22-nonaene
SMILESClP1Oc2ccc3ccccc3c2C2c3ccccc3C=CC2O1
InChIInChI=1S/C20H14ClO2P/c21-24-22-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)23-24/h1-12,17,19H
InChIKeyDFRJCVXBAPTBSU-UHFFFAOYSA-N
XLogP6.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.76
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 13-chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),3,5,7,9,16,18,20,22-nonaene with MolForge

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Related Compounds

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CID 66664615
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acetic acid;[1-(2-diphenylphosphanyl-1,2-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium
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CID 146360669
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12-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene
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Frequently Asked Questions

What is the IUPAC name of 13-chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),3,5,7,9,16,18,20,22-nonaene?
The IUPAC name of 13-chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),3,5,7,9,16,18,20,22-nonaene (CID 15965597) is 13-chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),3,5,7,9,16,18,20,22-nonaene.
What is the SMILES notation for 13-chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),3,5,7,9,16,18,20,22-nonaene?
The canonical SMILES for 13-chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),3,5,7,9,16,18,20,22-nonaene is ClP1Oc2ccc3ccccc3c2C2c3ccccc3C=CC2O1.
What is the InChIKey of 13-chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),3,5,7,9,16,18,20,22-nonaene?
The InChIKey is DFRJCVXBAPTBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClO2P/c21-24-22-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)23-24/h1-12,17,19H.
What are the key properties of 13-chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),3,5,7,9,16,18,20,22-nonaene?
13-chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),3,5,7,9,16,18,20,22-nonaene has a molecular weight of 352.76 g/mol, XLogP of 6.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),3,5,7,9,16,18,20,22-nonaene is sourced from PubChem (CID 15965597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).