(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3,4-dihydro-2H-chromene-6-carbaldehyde

C24H21FO3 — CID 18653181

IUPAC(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3,4-dihydro-2H-chromene-6-carbaldehyde
SMILESO=Cc1ccc2c(c1)CC[C@H](Cc1ccc(OCc3cccc(F)c3)cc1)O2
InChIInChI=1S/C24H21FO3/c25-21-3-1-2-19(13-21)16-27-22-8-4-17(5-9-22)14-23-10-7-20-12-18(15-26)6-11-24(20)28-23/h1-6,8-9,11-13,15,23H,7,10,14,16H2/t23-/m1/s1
InChIKeyVGBKMTOINRIPRE-HSZRJFAPSA-N
MW376.43 g/mol
LogP5.15
Rot. Bonds6

About (2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3,4-dihydro-2H-chromene-6-carbaldehyde

(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3,4-dihydro-2H-chromene-6-carbaldehyde (PubChem CID 18653181) has the molecular formula C24H21FO3 and a molecular weight of 376.43 g/mol. Its IUPAC name is (2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3,4-dihydro-2H-chromene-6-carbaldehyde.

Molecular Properties

Compound Name(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3,4-dihydro-2H-chromene-6-carbaldehyde
PubChem CID18653181
Molecular FormulaC24H21FO3
Molecular Weight376.43 g/mol
Exact Mass376.15
IUPAC Name(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3,4-dihydro-2H-chromene-6-carbaldehyde
SMILESO=Cc1ccc2c(c1)CC[C@H](Cc1ccc(OCc3cccc(F)c3)cc1)O2
InChIInChI=1S/C24H21FO3/c25-21-3-1-2-19(13-21)16-27-22-8-4-17(5-9-22)14-23-10-7-20-12-18(15-26)6-11-24(20)28-23/h1-6,8-9,11-13,15,23H,7,10,14,16H2/t23-/m1/s1
InChIKeyVGBKMTOINRIPRE-HSZRJFAPSA-N
XLogP5.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.43
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3,4-dihydro-2H-chromene-6-carbaldehyde?
The IUPAC name of (2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3,4-dihydro-2H-chromene-6-carbaldehyde (CID 18653181) is (2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3,4-dihydro-2H-chromene-6-carbaldehyde.
What is the SMILES notation for (2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3,4-dihydro-2H-chromene-6-carbaldehyde?
The canonical SMILES for (2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3,4-dihydro-2H-chromene-6-carbaldehyde is O=Cc1ccc2c(c1)CC[C@H](Cc1ccc(OCc3cccc(F)c3)cc1)O2.
What is the InChIKey of (2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3,4-dihydro-2H-chromene-6-carbaldehyde?
The InChIKey is VGBKMTOINRIPRE-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H21FO3/c25-21-3-1-2-19(13-21)16-27-22-8-4-17(5-9-22)14-23-10-7-20-12-18(15-26)6-11-24(20)28-23/h1-6,8-9,11-13,15,23H,7,10,14,16H2/t23-/m1/s1.
What are the key properties of (2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3,4-dihydro-2H-chromene-6-carbaldehyde?
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3,4-dihydro-2H-chromene-6-carbaldehyde has a molecular weight of 376.43 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3,4-dihydro-2H-chromene-6-carbaldehyde is sourced from PubChem (CID 18653181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).