(4R)-6-(1-hydroxyethyl)-3-phenyl-4H-chromene-4-carbaldehyde

C18H16O3 — CID 174746106

IUPAC(4R)-6-(1-hydroxyethyl)-3-phenyl-4H-chromene-4-carbaldehyde
SMILESCC(O)c1ccc2c(c1)[C@H](C=O)C(c1ccccc1)=CO2
InChIInChI=1S/C18H16O3/c1-12(20)14-7-8-18-15(9-14)16(10-19)17(11-21-18)13-5-3-2-4-6-13/h2-12,16,20H,1H3/t12?,16-/m0/s1
InChIKeyFOYTYLLYQBDFJW-INSVYWFGSA-N
MW280.32 g/mol
LogP3.46
Rot. Bonds3

About (4R)-6-(1-hydroxyethyl)-3-phenyl-4H-chromene-4-carbaldehyde

(4R)-6-(1-hydroxyethyl)-3-phenyl-4H-chromene-4-carbaldehyde (PubChem CID 174746106) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is (4R)-6-(1-hydroxyethyl)-3-phenyl-4H-chromene-4-carbaldehyde.

Molecular Properties

Compound Name(4R)-6-(1-hydroxyethyl)-3-phenyl-4H-chromene-4-carbaldehyde
PubChem CID174746106
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name(4R)-6-(1-hydroxyethyl)-3-phenyl-4H-chromene-4-carbaldehyde
SMILESCC(O)c1ccc2c(c1)[C@H](C=O)C(c1ccccc1)=CO2
InChIInChI=1S/C18H16O3/c1-12(20)14-7-8-18-15(9-14)16(10-19)17(11-21-18)13-5-3-2-4-6-13/h2-12,16,20H,1H3/t12?,16-/m0/s1
InChIKeyFOYTYLLYQBDFJW-INSVYWFGSA-N
XLogP3.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.46
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

Vitedoin A
CID 21574226
2-(4-Methoxy-3-Phenyl-Phenyl)ethanoic Acid
CID 13025529
3-[4-[[3-(2,6-Dimethylphenyl)-4-methoxyphenyl]methoxy]phenyl]propanoic acid
CID 23082877
3-(2-Methoxy-5-methylphenyl)-3-phenylpropanoic acid
CID 3468322
(5R)-3-[4-(hydroxymethyl)phenyl]-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 44144068
4'-Methoxymagnaldehyde E
CID 23657447
4'-Methoxymagnaldehyde B
CID 23657448
7-Hydroxy-2-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene-4-carbaldehyde
CID 10062303
4-methoxymagnaldehyde B
CID 24796111
3-Biphenylacetic acid, 4'-methoxy-alpha-methyl-
CID 53380
(R)-3-(3-(hydroxymethyl)phenyl)-5-(4-methoxyphenyl)cyclohex-2-enone
CID 42628172
(5R)-3-(2-methoxy-5-methylphenyl)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 44144061

Frequently Asked Questions

What is the IUPAC name of (4R)-6-(1-hydroxyethyl)-3-phenyl-4H-chromene-4-carbaldehyde?
The IUPAC name of (4R)-6-(1-hydroxyethyl)-3-phenyl-4H-chromene-4-carbaldehyde (CID 174746106) is (4R)-6-(1-hydroxyethyl)-3-phenyl-4H-chromene-4-carbaldehyde.
What is the SMILES notation for (4R)-6-(1-hydroxyethyl)-3-phenyl-4H-chromene-4-carbaldehyde?
The canonical SMILES for (4R)-6-(1-hydroxyethyl)-3-phenyl-4H-chromene-4-carbaldehyde is CC(O)c1ccc2c(c1)[C@H](C=O)C(c1ccccc1)=CO2.
What is the InChIKey of (4R)-6-(1-hydroxyethyl)-3-phenyl-4H-chromene-4-carbaldehyde?
The InChIKey is FOYTYLLYQBDFJW-INSVYWFGSA-N. The full InChI is InChI=1S/C18H16O3/c1-12(20)14-7-8-18-15(9-14)16(10-19)17(11-21-18)13-5-3-2-4-6-13/h2-12,16,20H,1H3/t12?,16-/m0/s1.
What are the key properties of (4R)-6-(1-hydroxyethyl)-3-phenyl-4H-chromene-4-carbaldehyde?
(4R)-6-(1-hydroxyethyl)-3-phenyl-4H-chromene-4-carbaldehyde has a molecular weight of 280.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-(1-hydroxyethyl)-3-phenyl-4H-chromene-4-carbaldehyde is sourced from PubChem (CID 174746106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).