ethoxymethylbenzene;propylbenzene

C18H24O — CID 174975433

IUPACethoxymethylbenzene;propylbenzene
SMILESCCCc1ccccc1.CCOCc1ccccc1
InChIInChI=1S/C9H12O.C9H12/c1-2-10-8-9-6-4-3-5-7-9;1-2-6-9-7-4-3-5-8-9/h3-7H,2,8H2,1H3;3-5,7-8H,2,6H2,1H3
InChIKeyZCTRVPXJWPXNHF-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.86
Rot. Bonds5

About ethoxymethylbenzene;propylbenzene

ethoxymethylbenzene;propylbenzene (PubChem CID 174975433) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is ethoxymethylbenzene;propylbenzene.

Molecular Properties

Compound Nameethoxymethylbenzene;propylbenzene
PubChem CID174975433
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Nameethoxymethylbenzene;propylbenzene
SMILESCCCc1ccccc1.CCOCc1ccccc1
InChIInChI=1S/C9H12O.C9H12/c1-2-10-8-9-6-4-3-5-7-9;1-2-6-9-7-4-3-5-8-9/h3-7H,2,8H2,1H3;3-5,7-8H,2,6H2,1H3
InChIKeyZCTRVPXJWPXNHF-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(213C)ethoxymethylbenzene
CID 87947851
potassium;hydride;propylbenzene
CID 174749122
propylbenzene tetraiodide
CID 23321652
propylbenzene;hydrobromide
CID 70024036
phenol;propylbenzene
CID 18469730
ethane;phenylmethoxymethylbenzene
CID 90943549
lithium;butoxymethylbenzene;hydride
CID 175482454
1-[4-(ethoxymethyl)phenyl]-3-phenylpropan-2-one
CID 139394409
1-butyl-4-(2-phenylmethoxyethyl)benzene
CID 137452332
lithium;ethyne;propylbenzene
CID 174833014
butylbenzene;propylbenzene
CID 142022125
carbanide;ethane;lanthanum;propane;propylbenzene
CID 161064679

Frequently Asked Questions

What is the IUPAC name of ethoxymethylbenzene;propylbenzene?
The IUPAC name of ethoxymethylbenzene;propylbenzene (CID 174975433) is ethoxymethylbenzene;propylbenzene.
What is the SMILES notation for ethoxymethylbenzene;propylbenzene?
The canonical SMILES for ethoxymethylbenzene;propylbenzene is CCCc1ccccc1.CCOCc1ccccc1.
What is the InChIKey of ethoxymethylbenzene;propylbenzene?
The InChIKey is ZCTRVPXJWPXNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C9H12/c1-2-10-8-9-6-4-3-5-7-9;1-2-6-9-7-4-3-5-8-9/h3-7H,2,8H2,1H3;3-5,7-8H,2,6H2,1H3.
What are the key properties of ethoxymethylbenzene;propylbenzene?
ethoxymethylbenzene;propylbenzene has a molecular weight of 256.39 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethylbenzene;propylbenzene is sourced from PubChem (CID 174975433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).