CID 10037465

C15H16O3 — CID 10037465

IUPAC—
SMILESCC1=C2C=CC=C2C(=O)C2(OCCO2)C12CCC2
InChIInChI=1S/C15H16O3/c1-10-11-4-2-5-12(11)13(16)15(17-8-9-18-15)14(10)6-3-7-14/h2,4-5H,3,6-9H2,1H3
InChIKeyUWRSEJKYNVJPNN-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.30
Rot. Bonds

About CID 10037465

CID 10037465 (PubChem CID 10037465) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol.

Molecular Properties

Compound NameCID 10037465
PubChem CID10037465
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name—
SMILESCC1=C2C=CC=C2C(=O)C2(OCCO2)C12CCC2
InChIInChI=1S/C15H16O3/c1-10-11-4-2-5-12(11)13(16)15(17-8-9-18-15)14(10)6-3-7-14/h2,4-5H,3,6-9H2,1H3
InChIKeyUWRSEJKYNVJPNN-UHFFFAOYSA-N
XLogP2.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 10037465?
The IUPAC name of CID 10037465 (CID 10037465) is not available.
What is the SMILES notation for CID 10037465?
The canonical SMILES for CID 10037465 is CC1=C2C=CC=C2C(=O)C2(OCCO2)C12CCC2.
What is the InChIKey of CID 10037465?
The InChIKey is UWRSEJKYNVJPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-10-11-4-2-5-12(11)13(16)15(17-8-9-18-15)14(10)6-3-7-14/h2,4-5H,3,6-9H2,1H3.
What are the key properties of CID 10037465?
CID 10037465 has a molecular weight of 244.29 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10037465 is sourced from PubChem (CID 10037465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).