CID 58656003

C13H12ClO — CID 58656003

IUPAC—
SMILES[CH2]CCOc1ccc2ccc(Cl)cc2c1
InChIInChI=1S/C13H12ClO/c1-2-7-15-13-6-4-10-3-5-12(14)8-11(10)9-13/h3-6,8-9H,1-2,7H2
InChIKeyCVDBBDRENGSBIG-UHFFFAOYSA-N
MW219.69 g/mol
LogP4.10
Rot. Bonds3

About CID 58656003

CID 58656003 (PubChem CID 58656003) has the molecular formula C13H12ClO and a molecular weight of 219.69 g/mol.

Molecular Properties

Compound NameCID 58656003
PubChem CID58656003
Molecular FormulaC13H12ClO
Molecular Weight219.69 g/mol
Exact Mass219.06
IUPAC Name—
SMILES[CH2]CCOc1ccc2ccc(Cl)cc2c1
InChIInChI=1S/C13H12ClO/c1-2-7-15-13-6-4-10-3-5-12(14)8-11(10)9-13/h3-6,8-9H,1-2,7H2
InChIKeyCVDBBDRENGSBIG-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-chloro-6-phenylmethoxynaphthalene
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3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol
CID 118363614
[5-chloro-2-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine
CID 22687111
2-chloronaphthalene;naphthalene
CID 159169098
1-(4-chlorophenyl)-3-naphthalen-2-yloxypropan-1-ol
CID 54113844
2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene
CID 60624704
2,6-bis[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]naphthalene
CID 10554662
2-(6-propan-2-ylnaphthalen-2-yl)oxyethanamine
CID 123913682
2-chloro-7-prop-2-enylnaphthalene
CID 58656022

Frequently Asked Questions

What is the IUPAC name of CID 58656003?
The IUPAC name of CID 58656003 (CID 58656003) is not available.
What is the SMILES notation for CID 58656003?
The canonical SMILES for CID 58656003 is [CH2]CCOc1ccc2ccc(Cl)cc2c1.
What is the InChIKey of CID 58656003?
The InChIKey is CVDBBDRENGSBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClO/c1-2-7-15-13-6-4-10-3-5-12(14)8-11(10)9-13/h3-6,8-9H,1-2,7H2.
What are the key properties of CID 58656003?
CID 58656003 has a molecular weight of 219.69 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58656003 is sourced from PubChem (CID 58656003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).