2-methoxyethyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate

C14H18O4 — CID 142636437

IUPAC2-methoxyethyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate
SMILESCOCCOC(=O)CC1COc2ccccc2C1
InChIInChI=1S/C14H18O4/c1-16-6-7-17-14(15)9-11-8-12-4-2-3-5-13(12)18-10-11/h2-5,11H,6-10H2,1H3
InChIKeySROVUAYBLDRVJP-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.82
Rot. Bonds5

About 2-methoxyethyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate

2-methoxyethyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate (PubChem CID 142636437) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-methoxyethyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate.

Molecular Properties

Compound Name2-methoxyethyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate
PubChem CID142636437
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-methoxyethyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate
SMILESCOCCOC(=O)CC1COc2ccccc2C1
InChIInChI=1S/C14H18O4/c1-16-6-7-17-14(15)9-11-8-12-4-2-3-5-13(12)18-10-11/h2-5,11H,6-10H2,1H3
InChIKeySROVUAYBLDRVJP-UHFFFAOYSA-N
XLogP1.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride
CID 142636452
ethyl 2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)acetate
CID 54031380
2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde
CID 142734505
ethyl 4-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]butanoate
CID 14838465
1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-2-(3,4-dihydro-2H-chromen-3-yl)ethanone
CID 149274122
methyl 2-(6-chloro-3,4-dihydro-2H-chromen-3-yl)acetate
CID 102198272
3,4-dihydro-2H-chromen-3-ylmethyl hydrogen sulfite
CID 91592911
propyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 60731106
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
methyl 4-(3,4-dihydro-2H-chromen-3-ylamino)-4-oxobutanoate
CID 110751478
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
3-[(2E,4Z)-2-methylhexa-2,4-dienyl]-3,4-dihydro-2H-chromene
CID 146274063

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate?
The IUPAC name of 2-methoxyethyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate (CID 142636437) is 2-methoxyethyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate.
What is the SMILES notation for 2-methoxyethyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate?
The canonical SMILES for 2-methoxyethyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate is COCCOC(=O)CC1COc2ccccc2C1.
What is the InChIKey of 2-methoxyethyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate?
The InChIKey is SROVUAYBLDRVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-16-6-7-17-14(15)9-11-8-12-4-2-3-5-13(12)18-10-11/h2-5,11H,6-10H2,1H3.
What are the key properties of 2-methoxyethyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate?
2-methoxyethyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate has a molecular weight of 250.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate is sourced from PubChem (CID 142636437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).