13-hydroxy-10,16-bis(2-methoxyphenyl)-12,14-dioxa-13λ5-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-oxide

C34H25O6P — CID 102147274

IUPAC13-hydroxy-10,16-bis(2-methoxyphenyl)-12,14-dioxa-13λ5-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-oxide
SMILESCOc1ccccc1-c1cc2ccccc2c2c1OP(=O)(O)Oc1c(-c3ccccc3OC)cc3ccccc3c1-2
InChIInChI=1S/C34H25O6P/c1-37-29-17-9-7-15-25(29)27-19-21-11-3-5-13-23(21)31-32-24-14-6-4-12-22(24)20-28(26-16-8-10-18-30(26)38-2)34(32)40-41(35,36)39-33(27)31/h3-20H,1-2H3,(H,35,36)
InChIKeyVRPUXDXSXHXKCN-UHFFFAOYSA-N
MW560.54 g/mol
LogP8.88
Rot. Bonds4

About 13-hydroxy-10,16-bis(2-methoxyphenyl)-12,14-dioxa-13λ5-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-oxide

13-hydroxy-10,16-bis(2-methoxyphenyl)-12,14-dioxa-13λ5-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-oxide (PubChem CID 102147274) has the molecular formula C34H25O6P and a molecular weight of 560.54 g/mol. Its IUPAC name is 13-hydroxy-10,16-bis(2-methoxyphenyl)-12,14-dioxa-13λ5-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-oxide.

Molecular Properties

Compound Name13-hydroxy-10,16-bis(2-methoxyphenyl)-12,14-dioxa-13λ5-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-oxide
PubChem CID102147274
Molecular FormulaC34H25O6P
Molecular Weight560.54 g/mol
Exact Mass560.14
IUPAC Name13-hydroxy-10,16-bis(2-methoxyphenyl)-12,14-dioxa-13λ5-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-oxide
SMILESCOc1ccccc1-c1cc2ccccc2c2c1OP(=O)(O)Oc1c(-c3ccccc3OC)cc3ccccc3c1-2
InChIInChI=1S/C34H25O6P/c1-37-29-17-9-7-15-25(29)27-19-21-11-3-5-13-23(21)31-32-24-14-6-4-12-22(24)20-28(26-16-8-10-18-30(26)38-2)34(32)40-41(35,36)39-33(27)31/h3-20H,1-2H3,(H,35,36)
InChIKeyVRPUXDXSXHXKCN-UHFFFAOYSA-N
XLogP8.88
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.54
LogP ≤ 58.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 13-hydroxy-10,16-bis(2-methoxyphenyl)-12,14-dioxa-13λ5-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-oxide?
The IUPAC name of 13-hydroxy-10,16-bis(2-methoxyphenyl)-12,14-dioxa-13λ5-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-oxide (CID 102147274) is 13-hydroxy-10,16-bis(2-methoxyphenyl)-12,14-dioxa-13λ5-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-oxide.
What is the SMILES notation for 13-hydroxy-10,16-bis(2-methoxyphenyl)-12,14-dioxa-13λ5-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-oxide?
The canonical SMILES for 13-hydroxy-10,16-bis(2-methoxyphenyl)-12,14-dioxa-13λ5-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-oxide is COc1ccccc1-c1cc2ccccc2c2c1OP(=O)(O)Oc1c(-c3ccccc3OC)cc3ccccc3c1-2.
What is the InChIKey of 13-hydroxy-10,16-bis(2-methoxyphenyl)-12,14-dioxa-13λ5-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-oxide?
The InChIKey is VRPUXDXSXHXKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25O6P/c1-37-29-17-9-7-15-25(29)27-19-21-11-3-5-13-23(21)31-32-24-14-6-4-12-22(24)20-28(26-16-8-10-18-30(26)38-2)34(32)40-41(35,36)39-33(27)31/h3-20H,1-2H3,(H,35,36).
What are the key properties of 13-hydroxy-10,16-bis(2-methoxyphenyl)-12,14-dioxa-13λ5-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-oxide?
13-hydroxy-10,16-bis(2-methoxyphenyl)-12,14-dioxa-13λ5-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-oxide has a molecular weight of 560.54 g/mol, XLogP of 8.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-hydroxy-10,16-bis(2-methoxyphenyl)-12,14-dioxa-13λ5-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-oxide is sourced from PubChem (CID 102147274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).