4-[cyclooctylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol

C26H29NO2 — CID 11176700

IUPAC4-[cyclooctylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol
SMILESCc1noc(C)c1-c1ccc(C(=C2CCCCCCC2)c2ccc(O)cc2)cc1
InChIInChI=1S/C26H29NO2/c1-18-25(19(2)29-27-18)21-10-12-22(13-11-21)26(23-14-16-24(28)17-15-23)20-8-6-4-3-5-7-9-20/h10-17,28H,3-9H2,1-2H3
InChIKeyDNFGDXIXXZROGO-UHFFFAOYSA-N
MW387.52 g/mol
LogP7.21
Rot. Bonds3

About 4-[cyclooctylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol

4-[cyclooctylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol (PubChem CID 11176700) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 4-[cyclooctylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol.

Molecular Properties

Compound Name4-[cyclooctylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol
PubChem CID11176700
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name4-[cyclooctylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol
SMILESCc1noc(C)c1-c1ccc(C(=C2CCCCCCC2)c2ccc(O)cc2)cc1
InChIInChI=1S/C26H29NO2/c1-18-25(19(2)29-27-18)21-10-12-22(13-11-21)26(23-14-16-24(28)17-15-23)20-8-6-4-3-5-7-9-20/h10-17,28H,3-9H2,1-2H3
InChIKeyDNFGDXIXXZROGO-UHFFFAOYSA-N
XLogP7.21
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclooctylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol?
The IUPAC name of 4-[cyclooctylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol (CID 11176700) is 4-[cyclooctylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol.
What is the SMILES notation for 4-[cyclooctylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol?
The canonical SMILES for 4-[cyclooctylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol is Cc1noc(C)c1-c1ccc(C(=C2CCCCCCC2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[cyclooctylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol?
The InChIKey is DNFGDXIXXZROGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-18-25(19(2)29-27-18)21-10-12-22(13-11-21)26(23-14-16-24(28)17-15-23)20-8-6-4-3-5-7-9-20/h10-17,28H,3-9H2,1-2H3.
What are the key properties of 4-[cyclooctylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol?
4-[cyclooctylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol has a molecular weight of 387.52 g/mol, XLogP of 7.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclooctylidene-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]phenol is sourced from PubChem (CID 11176700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).