4-(2-methoxyphenyl)-2H-chromene-3-carbaldehyde

C17H14O3 — CID 11311634

IUPAC4-(2-methoxyphenyl)-2H-chromene-3-carbaldehyde
SMILESCOc1ccccc1C1=C(C=O)COc2ccccc21
InChIInChI=1S/C17H14O3/c1-19-15-8-4-2-6-13(15)17-12(10-18)11-20-16-9-5-3-7-14(16)17/h2-10H,11H2,1H3
InChIKeyPGHQNHUBOQTQKP-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.09
Rot. Bonds3

About 4-(2-methoxyphenyl)-2H-chromene-3-carbaldehyde

4-(2-methoxyphenyl)-2H-chromene-3-carbaldehyde (PubChem CID 11311634) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2H-chromene-3-carbaldehyde
PubChem CID11311634
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name4-(2-methoxyphenyl)-2H-chromene-3-carbaldehyde
SMILESCOc1ccccc1C1=C(C=O)COc2ccccc21
InChIInChI=1S/C17H14O3/c1-19-15-8-4-2-6-13(15)17-12(10-18)11-20-16-9-5-3-7-14(16)17/h2-10H,11H2,1H3
InChIKeyPGHQNHUBOQTQKP-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methoxyphenyl)-1,3-benzodioxole-5-carbaldehyde
CID 172909252
5-(2-methoxyphenyl)furan-3-one
CID 12924090
2-chloro-3-(2-methoxyphenyl)benzaldehyde
CID 175756808
4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde
CID 105422977
3-(4-methoxyphenyl)sulfanyl-4-[3-(4-methoxyphenyl)sulfanyl-2H-chromen-4-yl]-2H-chromene
CID 72736308
1-benzofuran-3-one;ethane
CID 90876800
5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 4067971
2,3-bis(2-methoxyphenyl)cyclopent-2-en-1-one
CID 102233598
5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carbaldehyde
CID 82127138
1,4-diphenoxybenzene;ethane;tris(2-(2-methoxyphenyl)benzaldehyde)
CID 145045586
3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 63773034
carbanide;ethane;2-methoxybenzaldehyde;yttrium
CID 160914428

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2H-chromene-3-carbaldehyde?
The IUPAC name of 4-(2-methoxyphenyl)-2H-chromene-3-carbaldehyde (CID 11311634) is 4-(2-methoxyphenyl)-2H-chromene-3-carbaldehyde.
What is the SMILES notation for 4-(2-methoxyphenyl)-2H-chromene-3-carbaldehyde?
The canonical SMILES for 4-(2-methoxyphenyl)-2H-chromene-3-carbaldehyde is COc1ccccc1C1=C(C=O)COc2ccccc21.
What is the InChIKey of 4-(2-methoxyphenyl)-2H-chromene-3-carbaldehyde?
The InChIKey is PGHQNHUBOQTQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-19-15-8-4-2-6-13(15)17-12(10-18)11-20-16-9-5-3-7-14(16)17/h2-10H,11H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)-2H-chromene-3-carbaldehyde?
4-(2-methoxyphenyl)-2H-chromene-3-carbaldehyde has a molecular weight of 266.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2H-chromene-3-carbaldehyde is sourced from PubChem (CID 11311634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).