[1-(3,4-dihydro-2H-chromen-6-yl)cyclopropyl] formate

C13H14O3 — CID 59636910

IUPAC[1-(3,4-dihydro-2H-chromen-6-yl)cyclopropyl] formate
SMILESO=COC1(c2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C13H14O3/c14-9-16-13(5-6-13)11-3-4-12-10(8-11)2-1-7-15-12/h3-4,8-9H,1-2,5-7H2
InChIKeyPCTKQCJLYNBFBG-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.17
Rot. Bonds3

About [1-(3,4-dihydro-2H-chromen-6-yl)cyclopropyl] formate

[1-(3,4-dihydro-2H-chromen-6-yl)cyclopropyl] formate (PubChem CID 59636910) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-chromen-6-yl)cyclopropyl] formate.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-chromen-6-yl)cyclopropyl] formate
PubChem CID59636910
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name[1-(3,4-dihydro-2H-chromen-6-yl)cyclopropyl] formate
SMILESO=COC1(c2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C13H14O3/c14-9-16-13(5-6-13)11-3-4-12-10(8-11)2-1-7-15-12/h3-4,8-9H,1-2,5-7H2
InChIKeyPCTKQCJLYNBFBG-UHFFFAOYSA-N
XLogP2.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium;tetrakis(carbon dioxide);[1-(3,4-dihydro-2H-chromen-6-yl)cyclopropyl] formate;methane;bis(6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene);bis(6-(1-methylcyclopropyl)-2,3-dihydrochromen-4-one);hydroxide
CID 158556715
1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide
CID 116844327
6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene
CID 82468795
6-ethenyl-3,4-dihydro-2H-chromene
CID 23503811
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847341
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 82608645
1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine
CID 117291912
1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine
CID 104542199
lithium;carbon dioxide;1-(3,4-dihydro-2H-chromen-6-yl)cyclopropan-1-ol;6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene;hydroxide
CID 159329974
1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide
CID 116844349
1-(3,4-dihydro-2H-chromen-6-yl)cyclopropane-1,2-dicarboxylic acid
CID 116858003

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-chromen-6-yl)cyclopropyl] formate?
The IUPAC name of [1-(3,4-dihydro-2H-chromen-6-yl)cyclopropyl] formate (CID 59636910) is [1-(3,4-dihydro-2H-chromen-6-yl)cyclopropyl] formate.
What is the SMILES notation for [1-(3,4-dihydro-2H-chromen-6-yl)cyclopropyl] formate?
The canonical SMILES for [1-(3,4-dihydro-2H-chromen-6-yl)cyclopropyl] formate is O=COC1(c2ccc3c(c2)CCCO3)CC1.
What is the InChIKey of [1-(3,4-dihydro-2H-chromen-6-yl)cyclopropyl] formate?
The InChIKey is PCTKQCJLYNBFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c14-9-16-13(5-6-13)11-3-4-12-10(8-11)2-1-7-15-12/h3-4,8-9H,1-2,5-7H2.
What are the key properties of [1-(3,4-dihydro-2H-chromen-6-yl)cyclopropyl] formate?
[1-(3,4-dihydro-2H-chromen-6-yl)cyclopropyl] formate has a molecular weight of 218.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-chromen-6-yl)cyclopropyl] formate is sourced from PubChem (CID 59636910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).