(7R)-15-chloro-7-(4-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene

C24H21ClO3 — CID 7054860

IUPAC(7R)-15-chloro-7-(4-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene
SMILESCOc1ccc([C@@]2(C)CCc3oc4ccc(Cl)cc4c3-c3oc(C)cc32)cc1
InChIInChI=1S/C24H21ClO3/c1-14-12-19-23(27-14)22-18-13-16(25)6-9-20(18)28-21(22)10-11-24(19,2)15-4-7-17(26-3)8-5-15/h4-9,12-13H,10-11H2,1-3H3/t24-/m1/s1
InChIKeyAKQYTWNPENOPLR-XMMPIXPASA-N
MW392.88 g/mol
LogP6.92
Rot. Bonds2

About (7R)-15-chloro-7-(4-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene

(7R)-15-chloro-7-(4-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene (PubChem CID 7054860) has the molecular formula C24H21ClO3 and a molecular weight of 392.88 g/mol. Its IUPAC name is (7R)-15-chloro-7-(4-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene.

Molecular Properties

Compound Name(7R)-15-chloro-7-(4-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene
PubChem CID7054860
Molecular FormulaC24H21ClO3
Molecular Weight392.88 g/mol
Exact Mass392.12
IUPAC Name(7R)-15-chloro-7-(4-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene
SMILESCOc1ccc([C@@]2(C)CCc3oc4ccc(Cl)cc4c3-c3oc(C)cc32)cc1
InChIInChI=1S/C24H21ClO3/c1-14-12-19-23(27-14)22-18-13-16(25)6-9-20(18)28-21(22)10-11-24(19,2)15-4-7-17(26-3)8-5-15/h4-9,12-13H,10-11H2,1-3H3/t24-/m1/s1
InChIKeyAKQYTWNPENOPLR-XMMPIXPASA-N
XLogP6.92
TPSA35.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.88
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7R)-15-chloro-7-(4-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R)-15-chloro-7-(4-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene?
The IUPAC name of (7R)-15-chloro-7-(4-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene (CID 7054860) is (7R)-15-chloro-7-(4-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene.
What is the SMILES notation for (7R)-15-chloro-7-(4-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene?
The canonical SMILES for (7R)-15-chloro-7-(4-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene is COc1ccc([C@@]2(C)CCc3oc4ccc(Cl)cc4c3-c3oc(C)cc32)cc1.
What is the InChIKey of (7R)-15-chloro-7-(4-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene?
The InChIKey is AKQYTWNPENOPLR-XMMPIXPASA-N. The full InChI is InChI=1S/C24H21ClO3/c1-14-12-19-23(27-14)22-18-13-16(25)6-9-20(18)28-21(22)10-11-24(19,2)15-4-7-17(26-3)8-5-15/h4-9,12-13H,10-11H2,1-3H3/t24-/m1/s1.
What are the key properties of (7R)-15-chloro-7-(4-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene?
(7R)-15-chloro-7-(4-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene has a molecular weight of 392.88 g/mol, XLogP of 6.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-15-chloro-7-(4-methoxyphenyl)-4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12(17),13,15-hexaene is sourced from PubChem (CID 7054860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).