3,4-dihydro-2H-chromene;2-methylpropyl (2S)-3,4-dihydro-2H-chromene-2-carboxylate

C23H28O4 — CID 161219684

IUPAC3,4-dihydro-2H-chromene;2-methylpropyl (2S)-3,4-dihydro-2H-chromene-2-carboxylate
SMILESCC(C)COC(=O)[C@@H]1CCc2ccccc2O1.c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H18O3.C9H10O/c1-10(2)9-16-14(15)13-8-7-11-5-3-4-6-12(11)17-13;1-2-6-9-8(4-1)5-3-7-10-9/h3-6,10,13H,7-9H2,1-2H3;1-2,4,6H,3,5,7H2/t13-;/m0./s1
InChIKeyUXIMPEXYYNIAKH-ZOWNYOTGSA-N
MW368.47 g/mol
LogP4.59
Rot. Bonds3

About 3,4-dihydro-2H-chromene;2-methylpropyl (2S)-3,4-dihydro-2H-chromene-2-carboxylate

3,4-dihydro-2H-chromene;2-methylpropyl (2S)-3,4-dihydro-2H-chromene-2-carboxylate (PubChem CID 161219684) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromene;2-methylpropyl (2S)-3,4-dihydro-2H-chromene-2-carboxylate.

Molecular Properties

Compound Name3,4-dihydro-2H-chromene;2-methylpropyl (2S)-3,4-dihydro-2H-chromene-2-carboxylate
PubChem CID161219684
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name3,4-dihydro-2H-chromene;2-methylpropyl (2S)-3,4-dihydro-2H-chromene-2-carboxylate
SMILESCC(C)COC(=O)[C@@H]1CCc2ccccc2O1.c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H18O3.C9H10O/c1-10(2)9-16-14(15)13-8-7-11-5-3-4-6-12(11)17-13;1-2-6-9-8(4-1)5-3-7-10-9/h3-6,10,13H,7-9H2,1-2H3;1-2,4,6H,3,5,7H2/t13-;/m0./s1
InChIKeyUXIMPEXYYNIAKH-ZOWNYOTGSA-N
XLogP4.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 3,4-dihydro-2H-chromene-2-carboxylate
CID 11031797
amino 3,4-dihydro-2H-chromene-2-carboxylate
CID 59060293
1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one
CID 158725223
3,4-dihydro-2H-chromene;ethane
CID 91076984
3,4-dihydro-2H-chromene;N,N-dimethylmethanamine
CID 174740760
3,4-dihydro-2H-chromene;formaldehyde
CID 142487263
1-(3,4-dihydro-2H-chromen-2-yl)-2,2-dimethylpropan-1-one
CID 23567144
N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 19815598
strontium;3,4-dihydro-2H-chromene;hydride;oxolead
CID 173450529
calcium;strontium;cerium;3,4-dihydro-2H-chromene;hydride;lanthanum;oxozirconium
CID 175276244
N-[(2S)-1-propoxypropan-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 130179921
2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene
CID 158647803

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromene;2-methylpropyl (2S)-3,4-dihydro-2H-chromene-2-carboxylate?
The IUPAC name of 3,4-dihydro-2H-chromene;2-methylpropyl (2S)-3,4-dihydro-2H-chromene-2-carboxylate (CID 161219684) is 3,4-dihydro-2H-chromene;2-methylpropyl (2S)-3,4-dihydro-2H-chromene-2-carboxylate.
What is the SMILES notation for 3,4-dihydro-2H-chromene;2-methylpropyl (2S)-3,4-dihydro-2H-chromene-2-carboxylate?
The canonical SMILES for 3,4-dihydro-2H-chromene;2-methylpropyl (2S)-3,4-dihydro-2H-chromene-2-carboxylate is CC(C)COC(=O)[C@@H]1CCc2ccccc2O1.c1ccc2c(c1)CCCO2.
What is the InChIKey of 3,4-dihydro-2H-chromene;2-methylpropyl (2S)-3,4-dihydro-2H-chromene-2-carboxylate?
The InChIKey is UXIMPEXYYNIAKH-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H18O3.C9H10O/c1-10(2)9-16-14(15)13-8-7-11-5-3-4-6-12(11)17-13;1-2-6-9-8(4-1)5-3-7-10-9/h3-6,10,13H,7-9H2,1-2H3;1-2,4,6H,3,5,7H2/t13-;/m0./s1.
What are the key properties of 3,4-dihydro-2H-chromene;2-methylpropyl (2S)-3,4-dihydro-2H-chromene-2-carboxylate?
3,4-dihydro-2H-chromene;2-methylpropyl (2S)-3,4-dihydro-2H-chromene-2-carboxylate has a molecular weight of 368.47 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromene;2-methylpropyl (2S)-3,4-dihydro-2H-chromene-2-carboxylate is sourced from PubChem (CID 161219684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).