2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate

C19H18O4 — CID 1478823

IUPAC2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate
SMILESCOc1ccc2c(c1)C=C(C(=O)OCCc1ccccc1)CO2
InChIInChI=1S/C19H18O4/c1-21-17-7-8-18-15(12-17)11-16(13-23-18)19(20)22-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10,13H2,1H3
InChIKeyVFXCZLQOEXNWDX-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.26
Rot. Bonds5

About 2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate

2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate (PubChem CID 1478823) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate.

Molecular Properties

Compound Name2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate
PubChem CID1478823
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate
SMILESCOc1ccc2c(c1)C=C(C(=O)OCCc1ccccc1)CO2
InChIInChI=1S/C19H18O4/c1-21-17-7-8-18-15(12-17)11-16(13-23-18)19(20)22-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10,13H2,1H3
InChIKeyVFXCZLQOEXNWDX-UHFFFAOYSA-N
XLogP3.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenoxy)ethyl 2H-chromene-3-carboxylate
CID 8744287
N-(3-aminopropyl)-N-benzyl-6-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 120649645
1-(6-phenoxy-2H-chromen-3-yl)ethanone
CID 14971313
N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 1478817
N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide
CID 9456326
2-(4-methoxyphenyl)ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate
CID 9118244
N-(2,6-dimethylphenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 22578350
N-(3-amino-4-methylpentyl)-6-methoxy-N-methyl-2H-chromene-3-carboxamide;hydrochloride
CID 119658659
[2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 24981343
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120654267
benzyl 8-methoxy-2H-chromene-3-carboxylate
CID 1475910
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120947707

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate?
The IUPAC name of 2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate (CID 1478823) is 2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate.
What is the SMILES notation for 2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate?
The canonical SMILES for 2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate is COc1ccc2c(c1)C=C(C(=O)OCCc1ccccc1)CO2.
What is the InChIKey of 2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate?
The InChIKey is VFXCZLQOEXNWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-21-17-7-8-18-15(12-17)11-16(13-23-18)19(20)22-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10,13H2,1H3.
What are the key properties of 2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate?
2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate is sourced from PubChem (CID 1478823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).