ethoxybenzene;propoxybenzene

C17H22O2 — CID 67747691

IUPACethoxybenzene;propoxybenzene
SMILESCCCOc1ccccc1.CCOc1ccccc1
InChIInChI=1S/C9H12O.C8H10O/c1-2-8-10-9-6-4-3-5-7-9;1-2-9-8-6-4-3-5-7-8/h3-7H,2,8H2,1H3;3-7H,2H2,1H3
InChIKeyIFOYSKCLSRPTCG-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.56
Rot. Bonds5

About ethoxybenzene;propoxybenzene

ethoxybenzene;propoxybenzene (PubChem CID 67747691) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethoxybenzene;propoxybenzene.

Molecular Properties

Compound Nameethoxybenzene;propoxybenzene
PubChem CID67747691
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Nameethoxybenzene;propoxybenzene
SMILESCCCOc1ccccc1.CCOc1ccccc1
InChIInChI=1S/C9H12O.C8H10O/c1-2-8-10-9-6-4-3-5-7-9;1-2-9-8-6-4-3-5-7-8/h3-7H,2,8H2,1H3;3-7H,2H2,1H3
InChIKeyIFOYSKCLSRPTCG-UHFFFAOYSA-N
XLogP4.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480
ethoxybenzene chloride
CID 21193593
magnesium;ethane;propoxybenzene;bromide
CID 175337245
propoxybenzene;sulfur dioxide
CID 174403655
ethoxybenzene;molecular iodine
CID 67763605
ethoxybenzene;ethoxyethane
CID 67764259
ethoxybenzene tetrafluoroborate
CID 174807216
1-ethoxy-4-[(4-propoxyphenyl)methyl]benzene
CID 21338136
pentoxybenzene;undecane
CID 174778179
1-phenylmethoxy-4-propoxybenzene
CID 10728874
1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene
CID 91374788

Frequently Asked Questions

What is the IUPAC name of ethoxybenzene;propoxybenzene?
The IUPAC name of ethoxybenzene;propoxybenzene (CID 67747691) is ethoxybenzene;propoxybenzene.
What is the SMILES notation for ethoxybenzene;propoxybenzene?
The canonical SMILES for ethoxybenzene;propoxybenzene is CCCOc1ccccc1.CCOc1ccccc1.
What is the InChIKey of ethoxybenzene;propoxybenzene?
The InChIKey is IFOYSKCLSRPTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C8H10O/c1-2-8-10-9-6-4-3-5-7-9;1-2-9-8-6-4-3-5-7-8/h3-7H,2,8H2,1H3;3-7H,2H2,1H3.
What are the key properties of ethoxybenzene;propoxybenzene?
ethoxybenzene;propoxybenzene has a molecular weight of 258.36 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxybenzene;propoxybenzene is sourced from PubChem (CID 67747691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).