1-ethyl-4-(phenylmethoxymethyl)benzene

C16H18O — CID 123410479

IUPAC1-ethyl-4-(phenylmethoxymethyl)benzene
SMILESCCc1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C16H18O/c1-2-14-8-10-16(11-9-14)13-17-12-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3
InChIKeyNJGYUFSLEAXTAV-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.97
Rot. Bonds5

About 1-ethyl-4-(phenylmethoxymethyl)benzene

1-ethyl-4-(phenylmethoxymethyl)benzene (PubChem CID 123410479) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-ethyl-4-(phenylmethoxymethyl)benzene.

Molecular Properties

Compound Name1-ethyl-4-(phenylmethoxymethyl)benzene
PubChem CID123410479
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1-ethyl-4-(phenylmethoxymethyl)benzene
SMILESCCc1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C16H18O/c1-2-14-8-10-16(11-9-14)13-17-12-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3
InChIKeyNJGYUFSLEAXTAV-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;phenylmethoxymethylbenzene
CID 90943549
CID 66734377
CID 66734377
ethylcyclodecapentaene
CID 90861705
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
(213C)ethoxymethylbenzene
CID 87947851
dimethyltin;phenylmethoxymethylbenzene
CID 87392963
1-(4-ethylphenyl)-N-phenylmethoxymethanamine
CID 64974535
sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene
CID 90887003
ethylbenzene;molybdenum
CID 161189179
butane;phenol;phenylmethoxymethylbenzene
CID 174556357
ethane;ethylbenzene;methoxymethane
CID 91307642

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(phenylmethoxymethyl)benzene?
The IUPAC name of 1-ethyl-4-(phenylmethoxymethyl)benzene (CID 123410479) is 1-ethyl-4-(phenylmethoxymethyl)benzene.
What is the SMILES notation for 1-ethyl-4-(phenylmethoxymethyl)benzene?
The canonical SMILES for 1-ethyl-4-(phenylmethoxymethyl)benzene is CCc1ccc(COCc2ccccc2)cc1.
What is the InChIKey of 1-ethyl-4-(phenylmethoxymethyl)benzene?
The InChIKey is NJGYUFSLEAXTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-2-14-8-10-16(11-9-14)13-17-12-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3.
What are the key properties of 1-ethyl-4-(phenylmethoxymethyl)benzene?
1-ethyl-4-(phenylmethoxymethyl)benzene has a molecular weight of 226.32 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(phenylmethoxymethyl)benzene is sourced from PubChem (CID 123410479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).