(213C)ethoxymethylbenzene

C9H12O — CID 87947851

IUPAC(213C)ethoxymethylbenzene
SMILES[13CH3]COCc1ccccc1
InChIInChI=1S/C9H12O/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/i1+1
InChIKeyAXPZDYVDTMMLNB-OUBTZVSYSA-N
MW137.19 g/mol
LogP2.22
Rot. Bonds3

About (213C)ethoxymethylbenzene

(213C)ethoxymethylbenzene (PubChem CID 87947851) has the molecular formula C9H12O and a molecular weight of 137.19 g/mol. Its IUPAC name is (213C)ethoxymethylbenzene.

Molecular Properties

Compound Name(213C)ethoxymethylbenzene
PubChem CID87947851
Molecular FormulaC9H12O
Molecular Weight137.19 g/mol
Exact Mass137.09
IUPAC Name(213C)ethoxymethylbenzene
SMILES[13CH3]COCc1ccccc1
InChIInChI=1S/C9H12O/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/i1+1
InChIKeyAXPZDYVDTMMLNB-OUBTZVSYSA-N
XLogP2.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethoxymethylbenzene;propylbenzene
CID 174975433
ethane;phenylmethoxymethylbenzene
CID 90943549
1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-one
CID 139394409
1,3-difluoroprop-1-ene;ethoxymethylbenzene
CID 174789840
CID 66734377
CID 66734377
1-ethyl-4-(phenylmethoxymethyl)benzene
CID 123410479
benzylbenzene;ethoxyethane
CID 69148831
dimethyltin;phenylmethoxymethylbenzene
CID 87392963
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
ethoxymethylbenzene;oxiran-2-ylmethanol
CID 174298824
lithium;butoxymethylbenzene;hydride
CID 175482454
1-(ethoxymethyl)-4-methylbenzene
CID 12727419

Frequently Asked Questions

What is the IUPAC name of (213C)ethoxymethylbenzene?
The IUPAC name of (213C)ethoxymethylbenzene (CID 87947851) is (213C)ethoxymethylbenzene.
What is the SMILES notation for (213C)ethoxymethylbenzene?
The canonical SMILES for (213C)ethoxymethylbenzene is [13CH3]COCc1ccccc1.
What is the InChIKey of (213C)ethoxymethylbenzene?
The InChIKey is AXPZDYVDTMMLNB-OUBTZVSYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/i1+1.
What are the key properties of (213C)ethoxymethylbenzene?
(213C)ethoxymethylbenzene has a molecular weight of 137.19 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (213C)ethoxymethylbenzene is sourced from PubChem (CID 87947851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).