2-(2,2-dimethyl-4-phenyloxan-4-yl)acetic acid

C15H20O3 — CID 2877764

IUPAC2-(2,2-dimethyl-4-phenyloxan-4-yl)acetic acid
SMILESCC1(C)CC(CC(=O)O)(c2ccccc2)CCO1
InChIInChI=1S/C15H20O3/c1-14(2)11-15(8-9-18-14,10-13(16)17)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,16,17)
InChIKeyVOWBSUAXGNNDGB-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.99
Rot. Bonds3

About 2-(2,2-dimethyl-4-phenyloxan-4-yl)acetic acid

2-(2,2-dimethyl-4-phenyloxan-4-yl)acetic acid (PubChem CID 2877764) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(2,2-dimethyl-4-phenyloxan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2,2-dimethyl-4-phenyloxan-4-yl)acetic acid
PubChem CID2877764
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-(2,2-dimethyl-4-phenyloxan-4-yl)acetic acid
SMILESCC1(C)CC(CC(=O)O)(c2ccccc2)CCO1
InChIInChI=1S/C15H20O3/c1-14(2)11-15(8-9-18-14,10-13(16)17)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,16,17)
InChIKeyVOWBSUAXGNNDGB-UHFFFAOYSA-N
XLogP2.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-4-phenyloxan-4-yl)acetic acid?
The IUPAC name of 2-(2,2-dimethyl-4-phenyloxan-4-yl)acetic acid (CID 2877764) is 2-(2,2-dimethyl-4-phenyloxan-4-yl)acetic acid.
What is the SMILES notation for 2-(2,2-dimethyl-4-phenyloxan-4-yl)acetic acid?
The canonical SMILES for 2-(2,2-dimethyl-4-phenyloxan-4-yl)acetic acid is CC1(C)CC(CC(=O)O)(c2ccccc2)CCO1.
What is the InChIKey of 2-(2,2-dimethyl-4-phenyloxan-4-yl)acetic acid?
The InChIKey is VOWBSUAXGNNDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-14(2)11-15(8-9-18-14,10-13(16)17)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,16,17).
What are the key properties of 2-(2,2-dimethyl-4-phenyloxan-4-yl)acetic acid?
2-(2,2-dimethyl-4-phenyloxan-4-yl)acetic acid has a molecular weight of 248.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-4-phenyloxan-4-yl)acetic acid is sourced from PubChem (CID 2877764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).