2-(10-oxo-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)acetic acid

C18H18O3 — CID 71128935

IUPAC2-(10-oxo-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)acetic acid
SMILESO=C(O)CC1(c2ccccc2)C2CC3CC24C(CC14)C3=O
InChIInChI=1S/C18H18O3/c19-15(20)9-17(11-4-2-1-3-5-11)13-6-10-8-18(13)12(16(10)21)7-14(17)18/h1-5,10,12-14H,6-9H2,(H,19,20)
InChIKeyXIPFGUDNWUHYHM-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.64
Rot. Bonds3

About 2-(10-oxo-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)acetic acid

2-(10-oxo-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)acetic acid (PubChem CID 71128935) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(10-oxo-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)acetic acid.

Molecular Properties

Compound Name2-(10-oxo-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)acetic acid
PubChem CID71128935
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2-(10-oxo-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)acetic acid
SMILESO=C(O)CC1(c2ccccc2)C2CC3CC24C(CC14)C3=O
InChIInChI=1S/C18H18O3/c19-15(20)9-17(11-4-2-1-3-5-11)13-6-10-8-18(13)12(16(10)21)7-14(17)18/h1-5,10,12-14H,6-9H2,(H,19,20)
InChIKeyXIPFGUDNWUHYHM-UHFFFAOYSA-N
XLogP2.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(10-oxo-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)acetic acid?
The IUPAC name of 2-(10-oxo-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)acetic acid (CID 71128935) is 2-(10-oxo-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)acetic acid.
What is the SMILES notation for 2-(10-oxo-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)acetic acid?
The canonical SMILES for 2-(10-oxo-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)acetic acid is O=C(O)CC1(c2ccccc2)C2CC3CC24C(CC14)C3=O.
What is the InChIKey of 2-(10-oxo-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)acetic acid?
The InChIKey is XIPFGUDNWUHYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c19-15(20)9-17(11-4-2-1-3-5-11)13-6-10-8-18(13)12(16(10)21)7-14(17)18/h1-5,10,12-14H,6-9H2,(H,19,20).
What are the key properties of 2-(10-oxo-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)acetic acid?
2-(10-oxo-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)acetic acid has a molecular weight of 282.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-oxo-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)acetic acid is sourced from PubChem (CID 71128935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).