6-(3-phenylpropoxy)-2H-chromene-3-carbaldehyde

C19H18O3 — CID 14971264

IUPAC6-(3-phenylpropoxy)-2H-chromene-3-carbaldehyde
SMILESO=CC1=Cc2cc(OCCCc3ccccc3)ccc2OC1
InChIInChI=1S/C19H18O3/c20-13-16-11-17-12-18(8-9-19(17)22-14-16)21-10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-13H,4,7,10,14H2
InChIKeyMGKPKJKPGHEGBI-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.67
Rot. Bonds6

About 6-(3-phenylpropoxy)-2H-chromene-3-carbaldehyde

6-(3-phenylpropoxy)-2H-chromene-3-carbaldehyde (PubChem CID 14971264) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-(3-phenylpropoxy)-2H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name6-(3-phenylpropoxy)-2H-chromene-3-carbaldehyde
PubChem CID14971264
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name6-(3-phenylpropoxy)-2H-chromene-3-carbaldehyde
SMILESO=CC1=Cc2cc(OCCCc3ccccc3)ccc2OC1
InChIInChI=1S/C19H18O3/c20-13-16-11-17-12-18(8-9-19(17)22-14-16)21-10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-13H,4,7,10,14H2
InChIKeyMGKPKJKPGHEGBI-UHFFFAOYSA-N
XLogP3.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-hexoxy-2H-chromene-3-carbaldehyde
CID 14971262
6-phenoxy-2H-chromene-3-carbaldehyde;sulfurous acid
CID 19815622
7-[(4-propylphenyl)methoxy]-2H-chromene-3-carbaldehyde
CID 58439114
8-phenylmethoxy-2H-chromene-3-carbaldehyde
CID 10611787
2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate
CID 1478823
2-(3-phenylpropoxy)naphthalene
CID 13432986
6-(4-phenylbutoxy)naphthalene-2-carbaldehyde
CID 86087627
5-(3-phenylpropoxy)-2,3-dihydroinden-1-one
CID 104986122
5-(3-phenylpropoxy)pyridine-2-carbaldehyde
CID 79794594
2-[(6-methoxy-2H-chromen-3-yl)methylidene]indene-1,3-dione
CID 3359173
(3-formyl-2H-chromen-7-yl) methanesulfonate
CID 58439077
2-methyl-4-(3-phenylpropoxy)benzoic acid
CID 81293485

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenylpropoxy)-2H-chromene-3-carbaldehyde?
The IUPAC name of 6-(3-phenylpropoxy)-2H-chromene-3-carbaldehyde (CID 14971264) is 6-(3-phenylpropoxy)-2H-chromene-3-carbaldehyde.
What is the SMILES notation for 6-(3-phenylpropoxy)-2H-chromene-3-carbaldehyde?
The canonical SMILES for 6-(3-phenylpropoxy)-2H-chromene-3-carbaldehyde is O=CC1=Cc2cc(OCCCc3ccccc3)ccc2OC1.
What is the InChIKey of 6-(3-phenylpropoxy)-2H-chromene-3-carbaldehyde?
The InChIKey is MGKPKJKPGHEGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c20-13-16-11-17-12-18(8-9-19(17)22-14-16)21-10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-13H,4,7,10,14H2.
What are the key properties of 6-(3-phenylpropoxy)-2H-chromene-3-carbaldehyde?
6-(3-phenylpropoxy)-2H-chromene-3-carbaldehyde has a molecular weight of 294.35 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenylpropoxy)-2H-chromene-3-carbaldehyde is sourced from PubChem (CID 14971264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).