CID 59356705

C15H17O — CID 59356705

IUPAC—
SMILESCc1cccc2c1C1[CH]C(=O)CCC1CC2
InChIInChI=1S/C15H17O/c1-10-3-2-4-12-6-5-11-7-8-13(16)9-14(11)15(10)12/h2-4,9,11,14H,5-8H2,1H3
InChIKeyIGQLNIGYIHRPNI-UHFFFAOYSA-N
MW213.30 g/mol
LogP3.21
Rot. Bonds

About CID 59356705

CID 59356705 (PubChem CID 59356705) has the molecular formula C15H17O and a molecular weight of 213.30 g/mol.

Molecular Properties

Compound NameCID 59356705
PubChem CID59356705
Molecular FormulaC15H17O
Molecular Weight213.30 g/mol
Exact Mass213.13
IUPAC Name—
SMILESCc1cccc2c1C1[CH]C(=O)CCC1CC2
InChIInChI=1S/C15H17O/c1-10-3-2-4-12-6-5-11-7-8-13(16)9-14(11)15(10)12/h2-4,9,11,14H,5-8H2,1H3
InChIKeyIGQLNIGYIHRPNI-UHFFFAOYSA-N
XLogP3.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 59356705?
The IUPAC name of CID 59356705 (CID 59356705) is not available.
What is the SMILES notation for CID 59356705?
The canonical SMILES for CID 59356705 is Cc1cccc2c1C1[CH]C(=O)CCC1CC2.
What is the InChIKey of CID 59356705?
The InChIKey is IGQLNIGYIHRPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O/c1-10-3-2-4-12-6-5-11-7-8-13(16)9-14(11)15(10)12/h2-4,9,11,14H,5-8H2,1H3.
What are the key properties of CID 59356705?
CID 59356705 has a molecular weight of 213.30 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59356705 is sourced from PubChem (CID 59356705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).