3-chloro-2-(4-hydroxyphenyl)propanal

C9H9ClO2 — CID 174457268

IUPAC3-chloro-2-(4-hydroxyphenyl)propanal
SMILESO=CC(CCl)c1ccc(O)cc1
InChIInChI=1S/C9H9ClO2/c10-5-8(6-11)7-1-3-9(12)4-2-7/h1-4,6,8,12H,5H2
InChIKeySXHFPGDMZNEOIU-UHFFFAOYSA-N
MW184.62 g/mol
LogP1.91
Rot. Bonds3

About 3-chloro-2-(4-hydroxyphenyl)propanal

3-chloro-2-(4-hydroxyphenyl)propanal (PubChem CID 174457268) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 3-chloro-2-(4-hydroxyphenyl)propanal.

Molecular Properties

Compound Name3-chloro-2-(4-hydroxyphenyl)propanal
PubChem CID174457268
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name3-chloro-2-(4-hydroxyphenyl)propanal
SMILESO=CC(CCl)c1ccc(O)cc1
InChIInChI=1S/C9H9ClO2/c10-5-8(6-11)7-1-3-9(12)4-2-7/h1-4,6,8,12H,5H2
InChIKeySXHFPGDMZNEOIU-UHFFFAOYSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 51.91
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

4-[(1S)-2-chloro-1-hydroxyethyl]phenol
CID 93341607
(3R)-3-(4-hydroxyphenyl)-3-iodopropanal
CID 89093211
chloroethane;4-hydroxybenzaldehyde
CID 174574301
3-(4-hydroxyphenyl)hex-4-enoic acid
CID 68735439
2-(4-hydroxyphenyl)-2-(propan-2-ylamino)acetaldehyde;hydrochloride
CID 87998097
4,4,4-trifluoro-3-(4-hydroxyphenyl)butanal
CID 115030419
3-amino-2-(4-bromophenyl)propanal
CID 143606915
(2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid
CID 155461000
2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide
CID 141483840
2-(benzylamino)-2-(4-hydroxyphenyl)acetaldehyde;hydrochloride
CID 87998810
3-(4-hydroxyphenyl)hex-4-ynal
CID 118155735
4-(2-methylnon-2-en-4-yl)phenol
CID 134964205

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-hydroxyphenyl)propanal?
The IUPAC name of 3-chloro-2-(4-hydroxyphenyl)propanal (CID 174457268) is 3-chloro-2-(4-hydroxyphenyl)propanal.
What is the SMILES notation for 3-chloro-2-(4-hydroxyphenyl)propanal?
The canonical SMILES for 3-chloro-2-(4-hydroxyphenyl)propanal is O=CC(CCl)c1ccc(O)cc1.
What is the InChIKey of 3-chloro-2-(4-hydroxyphenyl)propanal?
The InChIKey is SXHFPGDMZNEOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c10-5-8(6-11)7-1-3-9(12)4-2-7/h1-4,6,8,12H,5H2.
What are the key properties of 3-chloro-2-(4-hydroxyphenyl)propanal?
3-chloro-2-(4-hydroxyphenyl)propanal has a molecular weight of 184.62 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-hydroxyphenyl)propanal is sourced from PubChem (CID 174457268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).