chloroethane;4-hydroxybenzaldehyde

C9H11ClO2 — CID 174574301

IUPACchloroethane;4-hydroxybenzaldehyde
SMILESCCCl.O=Cc1ccc(O)cc1
InChIInChI=1S/C7H6O2.C2H5Cl/c8-5-6-1-3-7(9)4-2-6;1-2-3/h1-5,9H;2H2,1H3
InChIKeyXUBBUWOEQQKCLN-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.45
Rot. Bonds1

About chloroethane;4-hydroxybenzaldehyde

chloroethane;4-hydroxybenzaldehyde (PubChem CID 174574301) has the molecular formula C9H11ClO2 and a molecular weight of 186.64 g/mol. Its IUPAC name is chloroethane;4-hydroxybenzaldehyde.

Molecular Properties

Compound Namechloroethane;4-hydroxybenzaldehyde
PubChem CID174574301
Molecular FormulaC9H11ClO2
Molecular Weight186.64 g/mol
Exact Mass186.04
IUPAC Namechloroethane;4-hydroxybenzaldehyde
SMILESCCCl.O=Cc1ccc(O)cc1
InChIInChI=1S/C7H6O2.C2H5Cl/c8-5-6-1-3-7(9)4-2-6;1-2-3/h1-5,9H;2H2,1H3
InChIKeyXUBBUWOEQQKCLN-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethanol;4-hydroxybenzaldehyde
CID 172788634
acetic acid;4-hydroxybenzaldehyde
CID 86610069
4-hydroxybenzaldehyde;propan-2-ol
CID 18939132
4-(4-hydroxyphenyl)benzaldehyde
CID 2759299
fluoroform;4-hydroxybenzaldehyde
CID 158009924
ethane;4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]benzaldehyde
CID 136654998
4-hydroxybenzaldehyde;1-phenylpropane-1,1-diol
CID 174730907
4-hydroxybenzaldehyde;1-(2-hydroxyphenyl)butan-2-one
CID 174470153
2,6-dimethylbenzaldehyde;4-hydroxybenzaldehyde
CID 158794546
sodium;butan-2-one;4-hydroxybenzaldehyde;(E)-1-(4-hydroxyphenyl)pent-1-en-3-one;methane;hydroxide
CID 158369756
(2E)-2-[(4-hydroxyphenyl)methylidene]butanal
CID 82111399
(4-formylphenyl) octanoate;4-hydroxybenzaldehyde
CID 161257704

Frequently Asked Questions

What is the IUPAC name of chloroethane;4-hydroxybenzaldehyde?
The IUPAC name of chloroethane;4-hydroxybenzaldehyde (CID 174574301) is chloroethane;4-hydroxybenzaldehyde.
What is the SMILES notation for chloroethane;4-hydroxybenzaldehyde?
The canonical SMILES for chloroethane;4-hydroxybenzaldehyde is CCCl.O=Cc1ccc(O)cc1.
What is the InChIKey of chloroethane;4-hydroxybenzaldehyde?
The InChIKey is XUBBUWOEQQKCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C2H5Cl/c8-5-6-1-3-7(9)4-2-6;1-2-3/h1-5,9H;2H2,1H3.
What are the key properties of chloroethane;4-hydroxybenzaldehyde?
chloroethane;4-hydroxybenzaldehyde has a molecular weight of 186.64 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethane;4-hydroxybenzaldehyde is sourced from PubChem (CID 174574301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).