2-(3-chlorophenyl)-6-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde

C16H13ClO3 — CID 174427381

IUPAC2-(3-chlorophenyl)-6-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde
SMILESO=CC1CC(c2cccc(Cl)c2)Oc2ccc(O)cc21
InChIInChI=1S/C16H13ClO3/c17-12-3-1-2-10(6-12)16-7-11(9-18)14-8-13(19)4-5-15(14)20-16/h1-6,8-9,11,16,19H,7H2
InChIKeyZCEKIMPCNYGLEL-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.85
Rot. Bonds2

About 2-(3-chlorophenyl)-6-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde

2-(3-chlorophenyl)-6-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde (PubChem CID 174427381) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde
PubChem CID174427381
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name2-(3-chlorophenyl)-6-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde
SMILESO=CC1CC(c2cccc(Cl)c2)Oc2ccc(O)cc21
InChIInChI=1S/C16H13ClO3/c17-12-3-1-2-10(6-12)16-7-11(9-18)14-8-13(19)4-5-15(14)20-16/h1-6,8-9,11,16,19H,7H2
InChIKeyZCEKIMPCNYGLEL-UHFFFAOYSA-N
XLogP3.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-2-phenyl-3,4-dihydro-2H-chromene-4-carbaldehyde
CID 174481286
(4S)-2-(3-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948114
2-(3-fluorophenyl)-3,4-dihydro-2H-chromene-4,6-diol
CID 157484623
2-(3-nitrophenyl)-3,4-dihydro-2H-chromene-4,6-diol
CID 158773048
2-(3-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715770
2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715253
2-[5-(3-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]acetic acid
CID 84701520
5-chloro-2,3-dihydro-1-benzofuran-3-carbaldehyde
CID 117201907
(2R,4R)-2-(4-hydroxyphenyl)-4-(sulfanylmethyl)-3,4-dihydro-2H-chromen-6-ol
CID 147786035
4-[[2-(3-chlorophenyl)ethyl-methylamino]methyl]-2-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 54251116
(4S)-6-chloro-2-(3-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948887
3-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol
CID 114710520

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde?
The IUPAC name of 2-(3-chlorophenyl)-6-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde (CID 174427381) is 2-(3-chlorophenyl)-6-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde.
What is the SMILES notation for 2-(3-chlorophenyl)-6-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde?
The canonical SMILES for 2-(3-chlorophenyl)-6-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde is O=CC1CC(c2cccc(Cl)c2)Oc2ccc(O)cc21.
What is the InChIKey of 2-(3-chlorophenyl)-6-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde?
The InChIKey is ZCEKIMPCNYGLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO3/c17-12-3-1-2-10(6-12)16-7-11(9-18)14-8-13(19)4-5-15(14)20-16/h1-6,8-9,11,16,19H,7H2.
What are the key properties of 2-(3-chlorophenyl)-6-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde?
2-(3-chlorophenyl)-6-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde has a molecular weight of 288.73 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde is sourced from PubChem (CID 174427381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).