2-methoxyethylbenzene;phenylmethanone

C16H17O2+ — CID 54375098

IUPAC2-methoxyethylbenzene;phenylmethanone
SMILESCOCCc1ccccc1.O=[C+]c1ccccc1
InChIInChI=1S/C9H12O.C7H5O/c1-10-8-7-9-5-3-2-4-6-9;8-6-7-4-2-1-3-5-7/h2-6H,7-8H2,1H3;1-5H/q;+1
InChIKeyUVXVKKLZWAYQKY-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.02
Rot. Bonds4

About 2-methoxyethylbenzene;phenylmethanone

2-methoxyethylbenzene;phenylmethanone (PubChem CID 54375098) has the molecular formula C16H17O2+ and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-methoxyethylbenzene;phenylmethanone.

Molecular Properties

Compound Name2-methoxyethylbenzene;phenylmethanone
PubChem CID54375098
Molecular FormulaC16H17O2+
Molecular Weight241.31 g/mol
Exact Mass241.12
IUPAC Name2-methoxyethylbenzene;phenylmethanone
SMILESCOCCc1ccccc1.O=[C+]c1ccccc1
InChIInChI=1S/C9H12O.C7H5O/c1-10-8-7-9-5-3-2-4-6-9;8-6-7-4-2-1-3-5-7/h2-6H,7-8H2,1H3;1-5H/q;+1
InChIKeyUVXVKKLZWAYQKY-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethylbenzene
CID 19089
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
7-methoxyheptylbenzene
CID 54276867
1-(2-methoxyethyl)-4-[3-(4-phenoxyphenoxy)phenoxy]benzene
CID 145141271
1-(1-chloro-2-phenylethyl)-4-(2-methoxyethyl)benzene
CID 61085744
2-phenylethyl 4-methoxybutanoate
CID 78885647
1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene
CID 79403925
[3-(2-methoxyethyl)phenyl]-phenylmethanone
CID 91307514
CID 11412729
CID 11412729
2-methylperoxyethylbenzene;propanal
CID 91084545
N,N-bis(2-methoxyethyl)-2-phenylethanamine
CID 16753331
2-amino-N-(2-methoxyethyl)-N-(3-phenylpropyl)acetamide
CID 119307588

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethylbenzene;phenylmethanone?
The IUPAC name of 2-methoxyethylbenzene;phenylmethanone (CID 54375098) is 2-methoxyethylbenzene;phenylmethanone.
What is the SMILES notation for 2-methoxyethylbenzene;phenylmethanone?
The canonical SMILES for 2-methoxyethylbenzene;phenylmethanone is COCCc1ccccc1.O=[C+]c1ccccc1.
What is the InChIKey of 2-methoxyethylbenzene;phenylmethanone?
The InChIKey is UVXVKKLZWAYQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C7H5O/c1-10-8-7-9-5-3-2-4-6-9;8-6-7-4-2-1-3-5-7/h2-6H,7-8H2,1H3;1-5H/q;+1.
What are the key properties of 2-methoxyethylbenzene;phenylmethanone?
2-methoxyethylbenzene;phenylmethanone has a molecular weight of 241.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethylbenzene;phenylmethanone is sourced from PubChem (CID 54375098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).