ethane;4-ethyl-3,4-dihydro-2H-chromene

C13H20O — CID 169111717

IUPACethane;4-ethyl-3,4-dihydro-2H-chromene
SMILESCC.CCC1CCOc2ccccc21
InChIInChI=1S/C11H14O.C2H6/c1-2-9-7-8-12-11-6-4-3-5-10(9)11;1-2/h3-6,9H,2,7-8H2,1H3;1-2H3
InChIKeyNLQDDDVYRHDEQG-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.99
Rot. Bonds1

About ethane;4-ethyl-3,4-dihydro-2H-chromene

ethane;4-ethyl-3,4-dihydro-2H-chromene (PubChem CID 169111717) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is ethane;4-ethyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Nameethane;4-ethyl-3,4-dihydro-2H-chromene
PubChem CID169111717
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Nameethane;4-ethyl-3,4-dihydro-2H-chromene
SMILESCC.CCC1CCOc2ccccc21
InChIInChI=1S/C11H14O.C2H6/c1-2-9-7-8-12-11-6-4-3-5-10(9)11;1-2/h3-6,9H,2,7-8H2,1H3;1-2H3
InChIKeyNLQDDDVYRHDEQG-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propan-1-amine
CID 113451450
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168
2-(3,4-dihydro-2H-chromen-4-ylmethylsulfonyl)propan-1-amine
CID 113451579
N'-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-propylethane-1,2-diamine
CID 113451131
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-3,4-dihydro-2H-chromene?
The IUPAC name of ethane;4-ethyl-3,4-dihydro-2H-chromene (CID 169111717) is ethane;4-ethyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for ethane;4-ethyl-3,4-dihydro-2H-chromene?
The canonical SMILES for ethane;4-ethyl-3,4-dihydro-2H-chromene is CC.CCC1CCOc2ccccc21.
What is the InChIKey of ethane;4-ethyl-3,4-dihydro-2H-chromene?
The InChIKey is NLQDDDVYRHDEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.C2H6/c1-2-9-7-8-12-11-6-4-3-5-10(9)11;1-2/h3-6,9H,2,7-8H2,1H3;1-2H3.
What are the key properties of ethane;4-ethyl-3,4-dihydro-2H-chromene?
ethane;4-ethyl-3,4-dihydro-2H-chromene has a molecular weight of 192.30 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 169111717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).