1-ethyl-4-hexoxybenzene;2-[2-hydroxyethyl(propyl)amino]ethanol

C21H39NO3 — CID 143268101

IUPAC1-ethyl-4-hexoxybenzene;2-[2-hydroxyethyl(propyl)amino]ethanol
SMILESCCCCCCOc1ccc(CC)cc1.CCCN(CCO)CCO
InChIInChI=1S/C14H22O.C7H17NO2/c1-3-5-6-7-12-15-14-10-8-13(4-2)9-11-14;1-2-3-8(4-6-9)5-7-10/h8-11H,3-7,12H2,1-2H3;9-10H,2-7H2,1H3
InChIKeySKCJBFIWFVAYLB-UHFFFAOYSA-N
MW353.55 g/mol
LogP3.89
Rot. Bonds13

About 1-ethyl-4-hexoxybenzene;2-[2-hydroxyethyl(propyl)amino]ethanol

1-ethyl-4-hexoxybenzene;2-[2-hydroxyethyl(propyl)amino]ethanol (PubChem CID 143268101) has the molecular formula C21H39NO3 and a molecular weight of 353.55 g/mol. Its IUPAC name is 1-ethyl-4-hexoxybenzene;2-[2-hydroxyethyl(propyl)amino]ethanol.

Molecular Properties

Compound Name1-ethyl-4-hexoxybenzene;2-[2-hydroxyethyl(propyl)amino]ethanol
PubChem CID143268101
Molecular FormulaC21H39NO3
Molecular Weight353.55 g/mol
Exact Mass353.29
IUPAC Name1-ethyl-4-hexoxybenzene;2-[2-hydroxyethyl(propyl)amino]ethanol
SMILESCCCCCCOc1ccc(CC)cc1.CCCN(CCO)CCO
InChIInChI=1S/C14H22O.C7H17NO2/c1-3-5-6-7-12-15-14-10-8-13(4-2)9-11-14;1-2-3-8(4-6-9)5-7-10/h8-11H,3-7,12H2,1-2H3;9-10H,2-7H2,1H3
InChIKeySKCJBFIWFVAYLB-UHFFFAOYSA-N
XLogP3.89
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethyl-[5-[4-[(4-octoxyphenyl)diazenyl]phenoxy]pentyl]amino]ethanol
CID 101231376
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
(4-ethylphenyl) 4-hexoxybenzoate
CID 23011413
5-(4-butylphenoxy)pentan-1-ol
CID 113322723
3-[4-[2-(4-dodecoxyphenyl)ethynyl]phenoxy]propan-1-ol
CID 4556199
1-[bis(2-hydroxyethyl)amino]-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol chloride
CID 53347350
1,4-dipentoxybenzene
CID 18314717
1-hexoxy-4-pentylbenzene
CID 54277450
1-nonoxy-4-propylbenzene
CID 118632119
N,N-dibutyl-6-[4-(diethylaminomethyl)phenoxy]hexan-1-amine
CID 46890024
2-[2-hydroxyethyl-[4-[4-(2-phenylethyl)phenoxy]butyl]amino]ethanol
CID 20544935

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hexoxybenzene;2-[2-hydroxyethyl(propyl)amino]ethanol?
The IUPAC name of 1-ethyl-4-hexoxybenzene;2-[2-hydroxyethyl(propyl)amino]ethanol (CID 143268101) is 1-ethyl-4-hexoxybenzene;2-[2-hydroxyethyl(propyl)amino]ethanol.
What is the SMILES notation for 1-ethyl-4-hexoxybenzene;2-[2-hydroxyethyl(propyl)amino]ethanol?
The canonical SMILES for 1-ethyl-4-hexoxybenzene;2-[2-hydroxyethyl(propyl)amino]ethanol is CCCCCCOc1ccc(CC)cc1.CCCN(CCO)CCO.
What is the InChIKey of 1-ethyl-4-hexoxybenzene;2-[2-hydroxyethyl(propyl)amino]ethanol?
The InChIKey is SKCJBFIWFVAYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.C7H17NO2/c1-3-5-6-7-12-15-14-10-8-13(4-2)9-11-14;1-2-3-8(4-6-9)5-7-10/h8-11H,3-7,12H2,1-2H3;9-10H,2-7H2,1H3.
What are the key properties of 1-ethyl-4-hexoxybenzene;2-[2-hydroxyethyl(propyl)amino]ethanol?
1-ethyl-4-hexoxybenzene;2-[2-hydroxyethyl(propyl)amino]ethanol has a molecular weight of 353.55 g/mol, XLogP of 3.89, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hexoxybenzene;2-[2-hydroxyethyl(propyl)amino]ethanol is sourced from PubChem (CID 143268101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).