ethane;5-methoxy-1,3-dimethyl-2-propoxybenzene

C14H24O2 — CID 90702699

IUPACethane;5-methoxy-1,3-dimethyl-2-propoxybenzene
SMILESCC.CCCOc1c(C)cc(OC)cc1C
InChIInChI=1S/C12H18O2.C2H6/c1-5-6-14-12-9(2)7-11(13-4)8-10(12)3;1-2/h7-8H,5-6H2,1-4H3;1-2H3
InChIKeyLMPHPXPJWCDYIS-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.13
Rot. Bonds4

About ethane;5-methoxy-1,3-dimethyl-2-propoxybenzene

ethane;5-methoxy-1,3-dimethyl-2-propoxybenzene (PubChem CID 90702699) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethane;5-methoxy-1,3-dimethyl-2-propoxybenzene.

Molecular Properties

Compound Nameethane;5-methoxy-1,3-dimethyl-2-propoxybenzene
PubChem CID90702699
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethane;5-methoxy-1,3-dimethyl-2-propoxybenzene
SMILESCC.CCCOc1c(C)cc(OC)cc1C
InChIInChI=1S/C12H18O2.C2H6/c1-5-6-14-12-9(2)7-11(13-4)8-10(12)3;1-2/h7-8H,5-6H2,1-4H3;1-2H3
InChIKeyLMPHPXPJWCDYIS-UHFFFAOYSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-5-methoxy-1,3-dimethylbenzene
CID 130882299
ethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol
CID 91115975
5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene
CID 22963239
1,3-dimethyl-2-propoxybenzene
CID 579040
1-(3,5-dimethyl-4-propoxyphenyl)ethanol
CID 91657661
ethane;2-hexoxy-1,3,5-trimethylbenzene
CID 143283157
1-ethyl-3-methoxy-5-propoxybenzene
CID 143260185
(4-butoxy-3,5-dimethylphenyl) acetate
CID 91036893
1,2-dimethyl-4-propoxybenzene
CID 23549082
2-chloro-1,3-dimethyl-5-propoxybenzene
CID 123140196
N-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine
CID 43276803
N-(3,5-dimethyl-4-propoxyphenyl)methanesulfonamide
CID 175307812

Frequently Asked Questions

What is the IUPAC name of ethane;5-methoxy-1,3-dimethyl-2-propoxybenzene?
The IUPAC name of ethane;5-methoxy-1,3-dimethyl-2-propoxybenzene (CID 90702699) is ethane;5-methoxy-1,3-dimethyl-2-propoxybenzene.
What is the SMILES notation for ethane;5-methoxy-1,3-dimethyl-2-propoxybenzene?
The canonical SMILES for ethane;5-methoxy-1,3-dimethyl-2-propoxybenzene is CC.CCCOc1c(C)cc(OC)cc1C.
What is the InChIKey of ethane;5-methoxy-1,3-dimethyl-2-propoxybenzene?
The InChIKey is LMPHPXPJWCDYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2.C2H6/c1-5-6-14-12-9(2)7-11(13-4)8-10(12)3;1-2/h7-8H,5-6H2,1-4H3;1-2H3.
What are the key properties of ethane;5-methoxy-1,3-dimethyl-2-propoxybenzene?
ethane;5-methoxy-1,3-dimethyl-2-propoxybenzene has a molecular weight of 224.34 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methoxy-1,3-dimethyl-2-propoxybenzene is sourced from PubChem (CID 90702699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).