CID 129410819

C16H10Cl2O2 — CID 129410819

IUPAC—
SMILESClc1cccc2c1[C@]1(CO1)c1cccc(Cl)c1[C@]21CO1
InChIInChI=1S/C16H10Cl2O2/c17-11-5-1-3-9-13(11)16(8-20-16)10-4-2-6-12(18)14(10)15(9)7-19-15/h1-6H,7-8H2/t15-,16-/m0/s1
InChIKeyBQTHWHWCTAZXOR-HOTGVXAUSA-N
MW305.16 g/mol
LogP3.85
Rot. Bonds

About CID 129410819

CID 129410819 (PubChem CID 129410819) has the molecular formula C16H10Cl2O2 and a molecular weight of 305.16 g/mol.

Molecular Properties

Compound NameCID 129410819
PubChem CID129410819
Molecular FormulaC16H10Cl2O2
Molecular Weight305.16 g/mol
Exact Mass304.01
IUPAC Name—
SMILESClc1cccc2c1[C@]1(CO1)c1cccc(Cl)c1[C@]21CO1
InChIInChI=1S/C16H10Cl2O2/c17-11-5-1-3-9-13(11)16(8-20-16)10-4-2-6-12(18)14(10)15(9)7-19-15/h1-6H,7-8H2/t15-,16-/m0/s1
InChIKeyBQTHWHWCTAZXOR-HOTGVXAUSA-N
XLogP3.85
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 129410819?
The IUPAC name of CID 129410819 (CID 129410819) is not available.
What is the SMILES notation for CID 129410819?
The canonical SMILES for CID 129410819 is Clc1cccc2c1[C@]1(CO1)c1cccc(Cl)c1[C@]21CO1.
What is the InChIKey of CID 129410819?
The InChIKey is BQTHWHWCTAZXOR-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H10Cl2O2/c17-11-5-1-3-9-13(11)16(8-20-16)10-4-2-6-12(18)14(10)15(9)7-19-15/h1-6H,7-8H2/t15-,16-/m0/s1.
What are the key properties of CID 129410819?
CID 129410819 has a molecular weight of 305.16 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 129410819 is sourced from PubChem (CID 129410819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).