1-(ethoxymethyl)-4-methylbenzene

C10H14O — CID 12727419

IUPAC1-(ethoxymethyl)-4-methylbenzene
SMILESCCOCc1ccc(C)cc1
InChIInChI=1S/C10H14O/c1-3-11-8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyFIDCVOWDKPLFMW-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.53
Rot. Bonds3

About 1-(ethoxymethyl)-4-methylbenzene

1-(ethoxymethyl)-4-methylbenzene (PubChem CID 12727419) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(ethoxymethyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(ethoxymethyl)-4-methylbenzene
PubChem CID12727419
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-(ethoxymethyl)-4-methylbenzene
SMILESCCOCc1ccc(C)cc1
InChIInChI=1S/C10H14O/c1-3-11-8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyFIDCVOWDKPLFMW-UHFFFAOYSA-N
XLogP2.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(ethoxymethyl)phenyl]methoxymethanol
CID 144565304
1-(iodomethoxymethyl)-4-methylbenzene
CID 146521641
[4-[4-(ethoxymethyl)phenyl]phenyl]methanol
CID 123162407
(213C)ethoxymethylbenzene
CID 87947851
CID 169190312
CID 169190312
1-(2-fluoroethoxymethyl)-4-methylbenzene
CID 15058778
1-methyl-4-(octoxymethyl)benzene
CID 86156710
ethoxymethylbenzene;methane;1-methyl-4-methylsulfonylbenzene
CID 161269952
1-(ethoxymethyl)-4-ethynylbenzene
CID 86643750
methane;1-(methoxymethyl)-4-methylbenzene
CID 158294039
azane;1-(methoxymethyl)-4-methylbenzene
CID 175555359
(4-methylphenyl)methyl hypochlorite
CID 174764062

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-4-methylbenzene?
The IUPAC name of 1-(ethoxymethyl)-4-methylbenzene (CID 12727419) is 1-(ethoxymethyl)-4-methylbenzene.
What is the SMILES notation for 1-(ethoxymethyl)-4-methylbenzene?
The canonical SMILES for 1-(ethoxymethyl)-4-methylbenzene is CCOCc1ccc(C)cc1.
What is the InChIKey of 1-(ethoxymethyl)-4-methylbenzene?
The InChIKey is FIDCVOWDKPLFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-11-8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-(ethoxymethyl)-4-methylbenzene?
1-(ethoxymethyl)-4-methylbenzene has a molecular weight of 150.22 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-4-methylbenzene is sourced from PubChem (CID 12727419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).