6-hydroxy-2-phenyl-3,4-dihydro-2H-chromene-4-carbaldehyde

C16H14O3 — CID 174481286

IUPAC6-hydroxy-2-phenyl-3,4-dihydro-2H-chromene-4-carbaldehyde
SMILESO=CC1CC(c2ccccc2)Oc2ccc(O)cc21
InChIInChI=1S/C16H14O3/c17-10-12-8-16(11-4-2-1-3-5-11)19-15-7-6-13(18)9-14(12)15/h1-7,9-10,12,16,18H,8H2
InChIKeyZAYHZIHMMBSVKD-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.20
Rot. Bonds2

About 6-hydroxy-2-phenyl-3,4-dihydro-2H-chromene-4-carbaldehyde

6-hydroxy-2-phenyl-3,4-dihydro-2H-chromene-4-carbaldehyde (PubChem CID 174481286) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-hydroxy-2-phenyl-3,4-dihydro-2H-chromene-4-carbaldehyde.

Molecular Properties

Compound Name6-hydroxy-2-phenyl-3,4-dihydro-2H-chromene-4-carbaldehyde
PubChem CID174481286
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name6-hydroxy-2-phenyl-3,4-dihydro-2H-chromene-4-carbaldehyde
SMILESO=CC1CC(c2ccccc2)Oc2ccc(O)cc21
InChIInChI=1S/C16H14O3/c17-10-12-8-16(11-4-2-1-3-5-11)19-15-7-6-13(18)9-14(12)15/h1-7,9-10,12,16,18H,8H2
InChIKeyZAYHZIHMMBSVKD-UHFFFAOYSA-N
XLogP3.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.20
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

2-(3-chlorophenyl)-6-hydroxy-3,4-dihydro-2H-chromene-4-carbaldehyde
CID 174427381
2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc
CID 160688399
(2S)-2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-ol
CID 102374647
(2R,4R)-2-(4-hydroxyphenyl)-4-(sulfanylmethyl)-3,4-dihydro-2H-chromen-6-ol
CID 147786035
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
(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720
2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol
CID 161182223
(2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene
CID 100969448
(2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene
CID 71443708
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one
CID 68519073
2-(3-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715253

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-phenyl-3,4-dihydro-2H-chromene-4-carbaldehyde?
The IUPAC name of 6-hydroxy-2-phenyl-3,4-dihydro-2H-chromene-4-carbaldehyde (CID 174481286) is 6-hydroxy-2-phenyl-3,4-dihydro-2H-chromene-4-carbaldehyde.
What is the SMILES notation for 6-hydroxy-2-phenyl-3,4-dihydro-2H-chromene-4-carbaldehyde?
The canonical SMILES for 6-hydroxy-2-phenyl-3,4-dihydro-2H-chromene-4-carbaldehyde is O=CC1CC(c2ccccc2)Oc2ccc(O)cc21.
What is the InChIKey of 6-hydroxy-2-phenyl-3,4-dihydro-2H-chromene-4-carbaldehyde?
The InChIKey is ZAYHZIHMMBSVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c17-10-12-8-16(11-4-2-1-3-5-11)19-15-7-6-13(18)9-14(12)15/h1-7,9-10,12,16,18H,8H2.
What are the key properties of 6-hydroxy-2-phenyl-3,4-dihydro-2H-chromene-4-carbaldehyde?
6-hydroxy-2-phenyl-3,4-dihydro-2H-chromene-4-carbaldehyde has a molecular weight of 254.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-phenyl-3,4-dihydro-2H-chromene-4-carbaldehyde is sourced from PubChem (CID 174481286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).