3-chloro-5-propan-2-yloxybenzaldehyde

C10H11ClO2 — CID 131540218

IUPAC3-chloro-5-propan-2-yloxybenzaldehyde
SMILESCC(C)Oc1cc(Cl)cc(C=O)c1
InChIInChI=1S/C10H11ClO2/c1-7(2)13-10-4-8(6-12)3-9(11)5-10/h3-7H,1-2H3
InChIKeyQRQAHPRYYBGKCX-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.94
Rot. Bonds3

About 3-chloro-5-propan-2-yloxybenzaldehyde

3-chloro-5-propan-2-yloxybenzaldehyde (PubChem CID 131540218) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-chloro-5-propan-2-yloxybenzaldehyde.

Molecular Properties

Compound Name3-chloro-5-propan-2-yloxybenzaldehyde
PubChem CID131540218
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name3-chloro-5-propan-2-yloxybenzaldehyde
SMILESCC(C)Oc1cc(Cl)cc(C=O)c1
InChIInChI=1S/C10H11ClO2/c1-7(2)13-10-4-8(6-12)3-9(11)5-10/h3-7H,1-2H3
InChIKeyQRQAHPRYYBGKCX-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-chloro-5-propan-2-yloxyphenyl)-1-fluoroethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171109930
3-chloro-5-propan-2-yloxybenzonitrile
CID 58503685
3-chloro-4-(3-propan-2-yloxyphenyl)benzaldehyde
CID 114076469
3-chloro-5-(1H-pyrazol-4-yloxy)benzaldehyde
CID 171067092
[3,5-di(propan-2-yloxy)phenyl]methylidenehydrazine
CID 168530321
(2R)-2-(3-chloro-5-formylphenyl)propanenitrile
CID 164915085
methane;3-(3-methylidenepent-4-enoxy)-5-propan-2-yloxybenzaldehyde;sulfane
CID 142197617
3-chloro-5-(methylamino)benzaldehyde
CID 59897653
ethane;2-hydroxy-6-propan-2-yl-4-propan-2-yloxybenzaldehyde
CID 176998359
3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde
CID 15410462
(3,5-diformylphenyl) dipropan-2-yl phosphate
CID 175889765
2-(3,5-dichlorophenoxy)propanoyl chloride
CID 82042078

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-propan-2-yloxybenzaldehyde?
The IUPAC name of 3-chloro-5-propan-2-yloxybenzaldehyde (CID 131540218) is 3-chloro-5-propan-2-yloxybenzaldehyde.
What is the SMILES notation for 3-chloro-5-propan-2-yloxybenzaldehyde?
The canonical SMILES for 3-chloro-5-propan-2-yloxybenzaldehyde is CC(C)Oc1cc(Cl)cc(C=O)c1.
What is the InChIKey of 3-chloro-5-propan-2-yloxybenzaldehyde?
The InChIKey is QRQAHPRYYBGKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-7(2)13-10-4-8(6-12)3-9(11)5-10/h3-7H,1-2H3.
What are the key properties of 3-chloro-5-propan-2-yloxybenzaldehyde?
3-chloro-5-propan-2-yloxybenzaldehyde has a molecular weight of 198.65 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-propan-2-yloxybenzaldehyde is sourced from PubChem (CID 131540218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).