4-(cyclopropylmethoxy)-1-ethyl-2-(1-methoxypropyl)benzene

C16H24O2 — CID 145042881

IUPAC4-(cyclopropylmethoxy)-1-ethyl-2-(1-methoxypropyl)benzene
SMILESCCc1ccc(OCC2CC2)cc1C(CC)OC
InChIInChI=1S/C16H24O2/c1-4-13-8-9-14(18-11-12-6-7-12)10-15(13)16(5-2)17-3/h8-10,12,16H,4-7,11H2,1-3H3
InChIKeyXTBRESZQKNHXKE-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.14
Rot. Bonds7

About 4-(cyclopropylmethoxy)-1-ethyl-2-(1-methoxypropyl)benzene

4-(cyclopropylmethoxy)-1-ethyl-2-(1-methoxypropyl)benzene (PubChem CID 145042881) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-1-ethyl-2-(1-methoxypropyl)benzene.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-1-ethyl-2-(1-methoxypropyl)benzene
PubChem CID145042881
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4-(cyclopropylmethoxy)-1-ethyl-2-(1-methoxypropyl)benzene
SMILESCCc1ccc(OCC2CC2)cc1C(CC)OC
InChIInChI=1S/C16H24O2/c1-4-13-8-9-14(18-11-12-6-7-12)10-15(13)16(5-2)17-3/h8-10,12,16H,4-7,11H2,1-3H3
InChIKeyXTBRESZQKNHXKE-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(cyclopropylmethoxy)-2-methylphenyl]butan-2-amine;hydrochloride
CID 170890309
(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine;molecular hydrogen
CID 142361370
1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene
CID 68763979
1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine
CID 107715743
3-[3-(cyclopropylmethoxy)phenyl]-3-methoxypropanenitrile
CID 153142202
1-(cyclohexylmethoxy)-4-ethylbenzene
CID 58865018
(4-ethylphenoxy)methylcycloheptane
CID 142027305
[4-(cyclopropylmethoxy)phenyl] acetate
CID 91264469
4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane
CID 142580919
3-[3-(cyclooctylmethoxy)phenyl]-3-methoxypropan-1-amine
CID 170002396
methyl 3-(cyclopropylmethoxy)-4-ethylbenzoate
CID 123922954
(1R)-1-[3-(cyclopropylmethoxy)phenyl]propan-1-amine;hydrochloride
CID 70655533

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-1-ethyl-2-(1-methoxypropyl)benzene?
The IUPAC name of 4-(cyclopropylmethoxy)-1-ethyl-2-(1-methoxypropyl)benzene (CID 145042881) is 4-(cyclopropylmethoxy)-1-ethyl-2-(1-methoxypropyl)benzene.
What is the SMILES notation for 4-(cyclopropylmethoxy)-1-ethyl-2-(1-methoxypropyl)benzene?
The canonical SMILES for 4-(cyclopropylmethoxy)-1-ethyl-2-(1-methoxypropyl)benzene is CCc1ccc(OCC2CC2)cc1C(CC)OC.
What is the InChIKey of 4-(cyclopropylmethoxy)-1-ethyl-2-(1-methoxypropyl)benzene?
The InChIKey is XTBRESZQKNHXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-4-13-8-9-14(18-11-12-6-7-12)10-15(13)16(5-2)17-3/h8-10,12,16H,4-7,11H2,1-3H3.
What are the key properties of 4-(cyclopropylmethoxy)-1-ethyl-2-(1-methoxypropyl)benzene?
4-(cyclopropylmethoxy)-1-ethyl-2-(1-methoxypropyl)benzene has a molecular weight of 248.37 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-1-ethyl-2-(1-methoxypropyl)benzene is sourced from PubChem (CID 145042881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).