13-propan-2-yloxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

C23H19O3P — CID 22323386

IUPAC13-propan-2-yloxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
SMILESCC(C)Op1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1
InChIInChI=1S/C23H19O3P/c1-15(2)24-27-25-20-13-11-16-7-3-5-9-18(16)22(20)23-19-10-6-4-8-17(19)12-14-21(23)26-27/h3-15H,1-2H3
InChIKeyOOIXIALNQUCJJK-UHFFFAOYSA-N
MW374.38 g/mol
LogP7.43
Rot. Bonds2

About 13-propan-2-yloxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

13-propan-2-yloxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (PubChem CID 22323386) has the molecular formula C23H19O3P and a molecular weight of 374.38 g/mol. Its IUPAC name is 13-propan-2-yloxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.

Molecular Properties

Compound Name13-propan-2-yloxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
PubChem CID22323386
Molecular FormulaC23H19O3P
Molecular Weight374.38 g/mol
Exact Mass374.11
IUPAC Name13-propan-2-yloxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
SMILESCC(C)Op1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1
InChIInChI=1S/C23H19O3P/c1-15(2)24-27-25-20-13-11-16-7-3-5-9-18(16)22(20)23-19-10-6-4-8-17(19)12-14-21(23)26-27/h3-15H,1-2H3
InChIKeyOOIXIALNQUCJJK-UHFFFAOYSA-N
XLogP7.43
TPSA35.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.38
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 13-propan-2-yloxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-propan-2-yloxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The IUPAC name of 13-propan-2-yloxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (CID 22323386) is 13-propan-2-yloxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.
What is the SMILES notation for 13-propan-2-yloxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The canonical SMILES for 13-propan-2-yloxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is CC(C)Op1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1.
What is the InChIKey of 13-propan-2-yloxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The InChIKey is OOIXIALNQUCJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19O3P/c1-15(2)24-27-25-20-13-11-16-7-3-5-9-18(16)22(20)23-19-10-6-4-8-17(19)12-14-21(23)26-27/h3-15H,1-2H3.
What are the key properties of 13-propan-2-yloxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
13-propan-2-yloxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene has a molecular weight of 374.38 g/mol, XLogP of 7.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-propan-2-yloxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is sourced from PubChem (CID 22323386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).