1-ethyl-2-heptoxybenzene

C15H24O — CID 22723794

IUPAC1-ethyl-2-heptoxybenzene
SMILESCCCCCCCOc1ccccc1CC
InChIInChI=1S/C15H24O/c1-3-5-6-7-10-13-16-15-12-9-8-11-14(15)4-2/h8-9,11-12H,3-7,10,13H2,1-2H3
InChIKeyHLGGBSNOEGBZON-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.60
Rot. Bonds8

About 1-ethyl-2-heptoxybenzene

1-ethyl-2-heptoxybenzene (PubChem CID 22723794) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-ethyl-2-heptoxybenzene.

Molecular Properties

Compound Name1-ethyl-2-heptoxybenzene
PubChem CID22723794
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-ethyl-2-heptoxybenzene
SMILESCCCCCCCOc1ccccc1CC
InChIInChI=1S/C15H24O/c1-3-5-6-7-10-13-16-15-12-9-8-11-14(15)4-2/h8-9,11-12H,3-7,10,13H2,1-2H3
InChIKeyHLGGBSNOEGBZON-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
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1-(bromomethyl)-2-dodecoxybenzene
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CID 43128604
5-(2-ethylphenoxy)-N-methylpentan-1-amine
CID 62486252
methyl 2-(2-octoxyphenyl)acetate
CID 70186261
(2-dodecoxyphenyl)methanesulfonic acid
CID 87286295
1-ethyl-2-hept-6-enoxybenzene
CID 107010566
ethane;1-ethyl-3-hexoxy-2-methylbenzene;propane
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1-(3-bromopropoxy)-2-ethylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-heptoxybenzene?
The IUPAC name of 1-ethyl-2-heptoxybenzene (CID 22723794) is 1-ethyl-2-heptoxybenzene.
What is the SMILES notation for 1-ethyl-2-heptoxybenzene?
The canonical SMILES for 1-ethyl-2-heptoxybenzene is CCCCCCCOc1ccccc1CC.
What is the InChIKey of 1-ethyl-2-heptoxybenzene?
The InChIKey is HLGGBSNOEGBZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-3-5-6-7-10-13-16-15-12-9-8-11-14(15)4-2/h8-9,11-12H,3-7,10,13H2,1-2H3.
What are the key properties of 1-ethyl-2-heptoxybenzene?
1-ethyl-2-heptoxybenzene has a molecular weight of 220.36 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-heptoxybenzene is sourced from PubChem (CID 22723794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).