CID 59076863

C18H24FO2 — CID 59076863

IUPAC—
SMILESC[C]1CCC(C2COC(c3ccc(C)c(F)c3)OC2)CC1
InChIInChI=1S/C18H24FO2/c1-12-3-6-14(7-4-12)16-10-20-18(21-11-16)15-8-5-13(2)17(19)9-15/h5,8-9,14,16,18H,3-4,6-7,10-11H2,1-2H3
InChIKeyOREMJEWZXIWOFL-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.58
Rot. Bonds2

About CID 59076863

CID 59076863 (PubChem CID 59076863) has the molecular formula C18H24FO2 and a molecular weight of 291.39 g/mol.

Molecular Properties

Compound NameCID 59076863
PubChem CID59076863
Molecular FormulaC18H24FO2
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name—
SMILESC[C]1CCC(C2COC(c3ccc(C)c(F)c3)OC2)CC1
InChIInChI=1S/C18H24FO2/c1-12-3-6-14(7-4-12)16-10-20-18(21-11-16)15-8-5-13(2)17(19)9-15/h5,8-9,14,16,18H,3-4,6-7,10-11H2,1-2H3
InChIKeyOREMJEWZXIWOFL-UHFFFAOYSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59076863?
The IUPAC name of CID 59076863 (CID 59076863) is not available.
What is the SMILES notation for CID 59076863?
The canonical SMILES for CID 59076863 is C[C]1CCC(C2COC(c3ccc(C)c(F)c3)OC2)CC1.
What is the InChIKey of CID 59076863?
The InChIKey is OREMJEWZXIWOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FO2/c1-12-3-6-14(7-4-12)16-10-20-18(21-11-16)15-8-5-13(2)17(19)9-15/h5,8-9,14,16,18H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of CID 59076863?
CID 59076863 has a molecular weight of 291.39 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59076863 is sourced from PubChem (CID 59076863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).