13-methoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11(16),12,14,17,19,21-nonaen-8-one

C24H18O2 — CID 14874013

IUPAC13-methoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11(16),12,14,17,19,21-nonaen-8-one
SMILESCOc1ccc2c(c1)CC13Cc4ccccc4C21c1ccccc1C3=O
InChIInChI=1S/C24H18O2/c1-26-17-10-11-20-16(12-17)14-23-13-15-6-2-4-8-19(15)24(20,23)21-9-5-3-7-18(21)22(23)25/h2-12H,13-14H2,1H3
InChIKeyCGYUMHMWRRHILM-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.32
Rot. Bonds1

About 13-methoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11(16),12,14,17,19,21-nonaen-8-one

13-methoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11(16),12,14,17,19,21-nonaen-8-one (PubChem CID 14874013) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 13-methoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11(16),12,14,17,19,21-nonaen-8-one.

Molecular Properties

Compound Name13-methoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11(16),12,14,17,19,21-nonaen-8-one
PubChem CID14874013
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name13-methoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11(16),12,14,17,19,21-nonaen-8-one
SMILESCOc1ccc2c(c1)CC13Cc4ccccc4C21c1ccccc1C3=O
InChIInChI=1S/C24H18O2/c1-26-17-10-11-20-16(12-17)14-23-13-15-6-2-4-8-19(15)24(20,23)21-9-5-3-7-18(21)22(23)25/h2-12H,13-14H2,1H3
InChIKeyCGYUMHMWRRHILM-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 13-methoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11(16),12,14,17,19,21-nonaen-8-one?
The IUPAC name of 13-methoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11(16),12,14,17,19,21-nonaen-8-one (CID 14874013) is 13-methoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11(16),12,14,17,19,21-nonaen-8-one.
What is the SMILES notation for 13-methoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11(16),12,14,17,19,21-nonaen-8-one?
The canonical SMILES for 13-methoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11(16),12,14,17,19,21-nonaen-8-one is COc1ccc2c(c1)CC13Cc4ccccc4C21c1ccccc1C3=O.
What is the InChIKey of 13-methoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11(16),12,14,17,19,21-nonaen-8-one?
The InChIKey is CGYUMHMWRRHILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O2/c1-26-17-10-11-20-16(12-17)14-23-13-15-6-2-4-8-19(15)24(20,23)21-9-5-3-7-18(21)22(23)25/h2-12H,13-14H2,1H3.
What are the key properties of 13-methoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11(16),12,14,17,19,21-nonaen-8-one?
13-methoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11(16),12,14,17,19,21-nonaen-8-one has a molecular weight of 338.41 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11(16),12,14,17,19,21-nonaen-8-one is sourced from PubChem (CID 14874013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).