4-chloro-3-(3-hydroxyprop-1-ynyl)benzaldehyde

C10H7ClO2 — CID 169484924

IUPAC4-chloro-3-(3-hydroxyprop-1-ynyl)benzaldehyde
SMILESO=Cc1ccc(Cl)c(C#CCO)c1
InChIInChI=1S/C10H7ClO2/c11-10-4-3-8(7-13)6-9(10)2-1-5-12/h3-4,6-7,12H,5H2
InChIKeyJUKWFUILAKUZRS-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.50
Rot. Bonds1

About 4-chloro-3-(3-hydroxyprop-1-ynyl)benzaldehyde

4-chloro-3-(3-hydroxyprop-1-ynyl)benzaldehyde (PubChem CID 169484924) has the molecular formula C10H7ClO2 and a molecular weight of 194.62 g/mol. Its IUPAC name is 4-chloro-3-(3-hydroxyprop-1-ynyl)benzaldehyde.

Molecular Properties

Compound Name4-chloro-3-(3-hydroxyprop-1-ynyl)benzaldehyde
PubChem CID169484924
Molecular FormulaC10H7ClO2
Molecular Weight194.62 g/mol
Exact Mass194.01
IUPAC Name4-chloro-3-(3-hydroxyprop-1-ynyl)benzaldehyde
SMILESO=Cc1ccc(Cl)c(C#CCO)c1
InChIInChI=1S/C10H7ClO2/c11-10-4-3-8(7-13)6-9(10)2-1-5-12/h3-4,6-7,12H,5H2
InChIKeyJUKWFUILAKUZRS-UHFFFAOYSA-N
XLogP1.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromobut-1-ynyl)-4-chlorobenzaldehyde
CID 170465970
4-chloro-3-(3-hydroxyprop-1-ynyl)benzoic acid
CID 143783959
4-chloro-3-(3-hydroxyprop-1-ynyl)benzonitrile
CID 169485014
3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-yn-1-ol
CID 59407755
2-chloro-6-(3-hydroxyprop-1-ynyl)phenol
CID 89093985
4-fluoro-2-(3-hydroxyprop-1-ynyl)benzaldehyde
CID 124707662
3-(4-chlorobut-1-ynyl)-4-methoxybenzaldehyde
CID 170468004
4-chloro-3-prop-2-ynoxybenzaldehyde
CID 73012754
methyl 4-formyl-2-pent-1-ynylbenzoate
CID 57443310
4-chloro-3-(4-hydroxyphenyl)benzaldehyde
CID 39231923
3-[4-(3-hydroxyprop-1-ynyl)phenoxy]-4-methoxybenzaldehyde
CID 10731583
4-(4-chlorobut-1-ynyl)-3-fluorobenzaldehyde
CID 170467657

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-hydroxyprop-1-ynyl)benzaldehyde?
The IUPAC name of 4-chloro-3-(3-hydroxyprop-1-ynyl)benzaldehyde (CID 169484924) is 4-chloro-3-(3-hydroxyprop-1-ynyl)benzaldehyde.
What is the SMILES notation for 4-chloro-3-(3-hydroxyprop-1-ynyl)benzaldehyde?
The canonical SMILES for 4-chloro-3-(3-hydroxyprop-1-ynyl)benzaldehyde is O=Cc1ccc(Cl)c(C#CCO)c1.
What is the InChIKey of 4-chloro-3-(3-hydroxyprop-1-ynyl)benzaldehyde?
The InChIKey is JUKWFUILAKUZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO2/c11-10-4-3-8(7-13)6-9(10)2-1-5-12/h3-4,6-7,12H,5H2.
What are the key properties of 4-chloro-3-(3-hydroxyprop-1-ynyl)benzaldehyde?
4-chloro-3-(3-hydroxyprop-1-ynyl)benzaldehyde has a molecular weight of 194.62 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-hydroxyprop-1-ynyl)benzaldehyde is sourced from PubChem (CID 169484924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).