(1S,16R)-hexacyclo[14.6.2.02,15.04,13.06,11.017,22]tetracosa-2,4,6,8,10,12,14,17,19,21-decaene-23,24-diol

C24H18O2 — CID 57387958

IUPAC(1S,16R)-hexacyclo[14.6.2.02,15.04,13.06,11.017,22]tetracosa-2,4,6,8,10,12,14,17,19,21-decaene-23,24-diol
SMILESOC1C(O)[C@H]2c3ccccc3[C@@H]1c1cc3cc4ccccc4cc3cc12
InChIInChI=1S/C24H18O2/c25-23-21-17-7-3-4-8-18(17)22(24(23)26)20-12-16-10-14-6-2-1-5-13(14)9-15(16)11-19(20)21/h1-12,21-26H/t21-,22+,23?,24?
InChIKeyRCMVQSHZJGBYJF-KFGJODCASA-N
MW338.41 g/mol
LogP4.31
Rot. Bonds

About (1S,16R)-hexacyclo[14.6.2.02,15.04,13.06,11.017,22]tetracosa-2,4,6,8,10,12,14,17,19,21-decaene-23,24-diol

(1S,16R)-hexacyclo[14.6.2.02,15.04,13.06,11.017,22]tetracosa-2,4,6,8,10,12,14,17,19,21-decaene-23,24-diol (PubChem CID 57387958) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (1S,16R)-hexacyclo[14.6.2.02,15.04,13.06,11.017,22]tetracosa-2,4,6,8,10,12,14,17,19,21-decaene-23,24-diol.

Molecular Properties

Compound Name(1S,16R)-hexacyclo[14.6.2.02,15.04,13.06,11.017,22]tetracosa-2,4,6,8,10,12,14,17,19,21-decaene-23,24-diol
PubChem CID57387958
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name(1S,16R)-hexacyclo[14.6.2.02,15.04,13.06,11.017,22]tetracosa-2,4,6,8,10,12,14,17,19,21-decaene-23,24-diol
SMILESOC1C(O)[C@H]2c3ccccc3[C@@H]1c1cc3cc4ccccc4cc3cc12
InChIInChI=1S/C24H18O2/c25-23-21-17-7-3-4-8-18(17)22(24(23)26)20-12-16-10-14-6-2-1-5-13(14)9-15(16)11-19(20)21/h1-12,21-26H/t21-,22+,23?,24?
InChIKeyRCMVQSHZJGBYJF-KFGJODCASA-N
XLogP4.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (1S,16R)-hexacyclo[14.6.2.02,15.04,13.06,11.017,22]tetracosa-2,4,6,8,10,12,14,17,19,21-decaene-23,24-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,16R)-hexacyclo[14.6.2.02,15.04,13.06,11.017,22]tetracosa-2,4,6,8,10,12,14,17,19,21-decaene-23,24-diol?
The IUPAC name of (1S,16R)-hexacyclo[14.6.2.02,15.04,13.06,11.017,22]tetracosa-2,4,6,8,10,12,14,17,19,21-decaene-23,24-diol (CID 57387958) is (1S,16R)-hexacyclo[14.6.2.02,15.04,13.06,11.017,22]tetracosa-2,4,6,8,10,12,14,17,19,21-decaene-23,24-diol.
What is the SMILES notation for (1S,16R)-hexacyclo[14.6.2.02,15.04,13.06,11.017,22]tetracosa-2,4,6,8,10,12,14,17,19,21-decaene-23,24-diol?
The canonical SMILES for (1S,16R)-hexacyclo[14.6.2.02,15.04,13.06,11.017,22]tetracosa-2,4,6,8,10,12,14,17,19,21-decaene-23,24-diol is OC1C(O)[C@H]2c3ccccc3[C@@H]1c1cc3cc4ccccc4cc3cc12.
What is the InChIKey of (1S,16R)-hexacyclo[14.6.2.02,15.04,13.06,11.017,22]tetracosa-2,4,6,8,10,12,14,17,19,21-decaene-23,24-diol?
The InChIKey is RCMVQSHZJGBYJF-KFGJODCASA-N. The full InChI is InChI=1S/C24H18O2/c25-23-21-17-7-3-4-8-18(17)22(24(23)26)20-12-16-10-14-6-2-1-5-13(14)9-15(16)11-19(20)21/h1-12,21-26H/t21-,22+,23?,24?.
What are the key properties of (1S,16R)-hexacyclo[14.6.2.02,15.04,13.06,11.017,22]tetracosa-2,4,6,8,10,12,14,17,19,21-decaene-23,24-diol?
(1S,16R)-hexacyclo[14.6.2.02,15.04,13.06,11.017,22]tetracosa-2,4,6,8,10,12,14,17,19,21-decaene-23,24-diol has a molecular weight of 338.41 g/mol, XLogP of 4.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,16R)-hexacyclo[14.6.2.02,15.04,13.06,11.017,22]tetracosa-2,4,6,8,10,12,14,17,19,21-decaene-23,24-diol is sourced from PubChem (CID 57387958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).