ethane;5-methoxy-4-methyl-3,4-dihydro-2H-chromene

C13H20O2 — CID 156843779

IUPACethane;5-methoxy-4-methyl-3,4-dihydro-2H-chromene
SMILESCC.COc1cccc2c1C(C)CCO2
InChIInChI=1S/C11H14O2.C2H6/c1-8-6-7-13-10-5-3-4-9(12-2)11(8)10;1-2/h3-5,8H,6-7H2,1-2H3;1-2H3
InChIKeyIITLPETUGWGZQO-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.61
Rot. Bonds1

About ethane;5-methoxy-4-methyl-3,4-dihydro-2H-chromene

ethane;5-methoxy-4-methyl-3,4-dihydro-2H-chromene (PubChem CID 156843779) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is ethane;5-methoxy-4-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Nameethane;5-methoxy-4-methyl-3,4-dihydro-2H-chromene
PubChem CID156843779
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Nameethane;5-methoxy-4-methyl-3,4-dihydro-2H-chromene
SMILESCC.COc1cccc2c1C(C)CCO2
InChIInChI=1S/C11H14O2.C2H6/c1-8-6-7-13-10-5-3-4-9(12-2)11(8)10;1-2/h3-5,8H,6-7H2,1-2H3;1-2H3
InChIKeyIITLPETUGWGZQO-UHFFFAOYSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119057116
1,3-dimethoxy-2-(2-methylcyclopentyl)benzene
CID 118593665
(10bS)-10-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine
CID 70275125
2-(2,6-dimethoxyphenyl)-3-methylpyrrolidine
CID 3362544
5,5-dimethyl-3-[6-[(4-methyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione
CID 158408774
2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129462509
(4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol
CID 130642446
(4aR,10bS)-10-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
CID 18603865
(4R)-4-(2,6-dimethoxyphenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
CID 171187796
6-methoxy-2,3,4,5-tetrahydro-1,5-benzoxazepine
CID 114765120
1,7-dimethoxy-2,3-dihydro-1H-indene
CID 139893728
(2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine
CID 178102740

Frequently Asked Questions

What is the IUPAC name of ethane;5-methoxy-4-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of ethane;5-methoxy-4-methyl-3,4-dihydro-2H-chromene (CID 156843779) is ethane;5-methoxy-4-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for ethane;5-methoxy-4-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for ethane;5-methoxy-4-methyl-3,4-dihydro-2H-chromene is CC.COc1cccc2c1C(C)CCO2.
What is the InChIKey of ethane;5-methoxy-4-methyl-3,4-dihydro-2H-chromene?
The InChIKey is IITLPETUGWGZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C2H6/c1-8-6-7-13-10-5-3-4-9(12-2)11(8)10;1-2/h3-5,8H,6-7H2,1-2H3;1-2H3.
What are the key properties of ethane;5-methoxy-4-methyl-3,4-dihydro-2H-chromene?
ethane;5-methoxy-4-methyl-3,4-dihydro-2H-chromene has a molecular weight of 208.30 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methoxy-4-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 156843779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).