CID 10901807

C8H6ClO — CID 10901807

IUPAC—
SMILESO=C/C=C(/Cl)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C8H6ClO/c9-8(5-6-10)7-3-1-2-4-7/h1-6H/b8-5+
InChIKeyKBGMTIOSDMWGGQ-VMPITWQZSA-N
MW153.59 g/mol
LogP1.71
Rot. Bonds2

About CID 10901807

CID 10901807 (PubChem CID 10901807) has the molecular formula C8H6ClO and a molecular weight of 153.59 g/mol.

Molecular Properties

Compound NameCID 10901807
PubChem CID10901807
Molecular FormulaC8H6ClO
Molecular Weight153.59 g/mol
Exact Mass153.01
IUPAC Name—
SMILESO=C/C=C(/Cl)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C8H6ClO/c9-8(5-6-10)7-3-1-2-4-7/h1-6H/b8-5+
InChIKeyKBGMTIOSDMWGGQ-VMPITWQZSA-N
XLogP1.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.59
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10901807?
The IUPAC name of CID 10901807 (CID 10901807) is not available.
What is the SMILES notation for CID 10901807?
The canonical SMILES for CID 10901807 is O=C/C=C(/Cl)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 10901807?
The InChIKey is KBGMTIOSDMWGGQ-VMPITWQZSA-N. The full InChI is InChI=1S/C8H6ClO/c9-8(5-6-10)7-3-1-2-4-7/h1-6H/b8-5+.
What are the key properties of CID 10901807?
CID 10901807 has a molecular weight of 153.59 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10901807 is sourced from PubChem (CID 10901807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).