ethane;1-ethoxyethoxybenzene;phenol;propane

C26H48O3 — CID 162122955

IUPACethane;1-ethoxyethoxybenzene;phenol;propane
SMILESCC.CC.CCC.CCC.CCOC(C)Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C10H14O2.C6H6O.2C3H8.2C2H6/c1-3-11-9(2)12-10-7-5-4-6-8-10;7-6-4-2-1-3-5-6;2*1-3-2;2*1-2/h4-9H,3H2,1-2H3;1-5,7H;2*3H2,1-2H3;2*1-2H3
InChIKeyZHQPBMKARUCIPK-UHFFFAOYSA-N
MW408.67 g/mol
LogP8.73
Rot. Bonds4

About ethane;1-ethoxyethoxybenzene;phenol;propane

ethane;1-ethoxyethoxybenzene;phenol;propane (PubChem CID 162122955) has the molecular formula C26H48O3 and a molecular weight of 408.67 g/mol. Its IUPAC name is ethane;1-ethoxyethoxybenzene;phenol;propane.

Molecular Properties

Compound Nameethane;1-ethoxyethoxybenzene;phenol;propane
PubChem CID162122955
Molecular FormulaC26H48O3
Molecular Weight408.67 g/mol
Exact Mass408.36
IUPAC Nameethane;1-ethoxyethoxybenzene;phenol;propane
SMILESCC.CC.CCC.CCC.CCOC(C)Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C10H14O2.C6H6O.2C3H8.2C2H6/c1-3-11-9(2)12-10-7-5-4-6-8-10;7-6-4-2-1-3-5-6;2*1-3-2;2*1-2/h4-9H,3H2,1-2H3;1-5,7H;2*3H2,1-2H3;2*1-2H3
InChIKeyZHQPBMKARUCIPK-UHFFFAOYSA-N
XLogP8.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.67
LogP ≤ 58.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzene;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;phenol;propane
CID 163693929
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol
CID 23546598
bis[4-(1-ethoxyethoxy)phenyl]-phenylsulfanium
CID 18945784
4-[4-[4-(1-ethoxyethoxy)phenyl]hexan-2-yl]phenol
CID 23556512
1-(1-ethoxyethoxy)-3-phenylmethoxybenzene
CID 22345861
1-(2-bromoethoxy)ethoxybenzene
CID 69208548
benzene;phenol;propane
CID 157176896
sodium;bis[4-[4-(1-ethoxyethoxy)phenoxy]phenyl]-phenylsulfanium;bis(4-fluorophenyl)-phenylsulfanium;bis[4-(4-hydroxyphenoxy)phenyl]-phenylsulfanium;4-(1-ethoxyethoxy)phenol;hydride;trichloride;hydrochloride
CID 163750616
1-ethoxyethyl prop-2-enoate;1-phenoxyethyl prop-2-enoate
CID 20550277
1,4-bis[bis[4-(1-ethoxyethoxy)phenyl]methyl]benzene
CID 90276539
4-(1-ethoxyethoxy)aniline
CID 139920192

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethoxyethoxybenzene;phenol;propane?
The IUPAC name of ethane;1-ethoxyethoxybenzene;phenol;propane (CID 162122955) is ethane;1-ethoxyethoxybenzene;phenol;propane.
What is the SMILES notation for ethane;1-ethoxyethoxybenzene;phenol;propane?
The canonical SMILES for ethane;1-ethoxyethoxybenzene;phenol;propane is CC.CC.CCC.CCC.CCOC(C)Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of ethane;1-ethoxyethoxybenzene;phenol;propane?
The InChIKey is ZHQPBMKARUCIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.C6H6O.2C3H8.2C2H6/c1-3-11-9(2)12-10-7-5-4-6-8-10;7-6-4-2-1-3-5-6;2*1-3-2;2*1-2/h4-9H,3H2,1-2H3;1-5,7H;2*3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-ethoxyethoxybenzene;phenol;propane?
ethane;1-ethoxyethoxybenzene;phenol;propane has a molecular weight of 408.67 g/mol, XLogP of 8.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethoxyethoxybenzene;phenol;propane is sourced from PubChem (CID 162122955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).