methyl 2-[(4R)-4-methyl-2,3-dihydrochromen-4-yl]acetate

C13H16O3 — CID 138979814

IUPACmethyl 2-[(4R)-4-methyl-2,3-dihydrochromen-4-yl]acetate
SMILESCOC(=O)C[C@@]1(C)CCOc2ccccc21
InChIInChI=1S/C13H16O3/c1-13(9-12(14)15-2)7-8-16-11-6-4-3-5-10(11)13/h3-6H,7-9H2,1-2H3/t13-/m1/s1
InChIKeyNZSPGDSYHXDASV-CYBMUJFWSA-N
MW220.27 g/mol
LogP2.29
Rot. Bonds2

About methyl 2-[(4R)-4-methyl-2,3-dihydrochromen-4-yl]acetate

methyl 2-[(4R)-4-methyl-2,3-dihydrochromen-4-yl]acetate (PubChem CID 138979814) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 2-[(4R)-4-methyl-2,3-dihydrochromen-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4R)-4-methyl-2,3-dihydrochromen-4-yl]acetate
PubChem CID138979814
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namemethyl 2-[(4R)-4-methyl-2,3-dihydrochromen-4-yl]acetate
SMILESCOC(=O)C[C@@]1(C)CCOc2ccccc21
InChIInChI=1S/C13H16O3/c1-13(9-12(14)15-2)7-8-16-11-6-4-3-5-10(11)13/h3-6H,7-9H2,1-2H3/t13-/m1/s1
InChIKeyNZSPGDSYHXDASV-CYBMUJFWSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-2,3-dihydrochromen-4-yl)methanamine
CID 65408065
methyl 2-(3-methyl-2-oxooxolan-3-yl)acetate
CID 86198190
methyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate
CID 113422738
methyl 2-[2,2-dimethyl-4-(methylamino)-3H-chromen-4-yl]acetate
CID 81142633
ethyl 2-[4-(propylamino)-2,3-dihydrochromen-4-yl]acetate
CID 65235737
2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid
CID 94425211
ethyl 2-[4-(diethylamino)-2,3-dihydrochromen-4-yl]acetate
CID 64539071
ethyl 4-amino-2,3-dihydrochromene-4-carboxylate
CID 3944354
(4R)-4-(dimethylamino)-2,3-dihydrochromene-4-carboxylic acid
CID 51887898
3-ethyl-3-methyl-2H-1-benzofuran
CID 145054107
4-but-2-enoxy-2,3-dihydrochromene-4-carboxylic acid
CID 114996160
ethyl 4-(propylamino)-2,3-dihydrochromene-4-carboxylate
CID 54918588

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4R)-4-methyl-2,3-dihydrochromen-4-yl]acetate?
The IUPAC name of methyl 2-[(4R)-4-methyl-2,3-dihydrochromen-4-yl]acetate (CID 138979814) is methyl 2-[(4R)-4-methyl-2,3-dihydrochromen-4-yl]acetate.
What is the SMILES notation for methyl 2-[(4R)-4-methyl-2,3-dihydrochromen-4-yl]acetate?
The canonical SMILES for methyl 2-[(4R)-4-methyl-2,3-dihydrochromen-4-yl]acetate is COC(=O)C[C@@]1(C)CCOc2ccccc21.
What is the InChIKey of methyl 2-[(4R)-4-methyl-2,3-dihydrochromen-4-yl]acetate?
The InChIKey is NZSPGDSYHXDASV-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16O3/c1-13(9-12(14)15-2)7-8-16-11-6-4-3-5-10(11)13/h3-6H,7-9H2,1-2H3/t13-/m1/s1.
What are the key properties of methyl 2-[(4R)-4-methyl-2,3-dihydrochromen-4-yl]acetate?
methyl 2-[(4R)-4-methyl-2,3-dihydrochromen-4-yl]acetate has a molecular weight of 220.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4R)-4-methyl-2,3-dihydrochromen-4-yl]acetate is sourced from PubChem (CID 138979814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).