2-[2-hydroxyethoxy-(4-methylphenyl)methoxy]ethanol

C12H18O4 — CID 129088325

IUPAC2-[2-hydroxyethoxy-(4-methylphenyl)methoxy]ethanol
SMILESCc1ccc(C(OCCO)OCCO)cc1
InChIInChI=1S/C12H18O4/c1-10-2-4-11(5-3-10)12(15-8-6-13)16-9-7-14/h2-5,12-14H,6-9H2,1H3
InChIKeyMHMSTUINQQFYHN-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.01
Rot. Bonds7

About 2-[2-hydroxyethoxy-(4-methylphenyl)methoxy]ethanol

2-[2-hydroxyethoxy-(4-methylphenyl)methoxy]ethanol (PubChem CID 129088325) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-[2-hydroxyethoxy-(4-methylphenyl)methoxy]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethoxy-(4-methylphenyl)methoxy]ethanol
PubChem CID129088325
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name2-[2-hydroxyethoxy-(4-methylphenyl)methoxy]ethanol
SMILESCc1ccc(C(OCCO)OCCO)cc1
InChIInChI=1S/C12H18O4/c1-10-2-4-11(5-3-10)12(15-8-6-13)16-9-7-14/h2-5,12-14H,6-9H2,1H3
InChIKeyMHMSTUINQQFYHN-UHFFFAOYSA-N
XLogP1.01
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethoxy)-2-(4-methylphenyl)acetic acid
CID 83224145
(4-methylphenyl)-propoxymethanol
CID 142200249
N'-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]oxamide
CID 90536659
1-ethyl-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea
CID 90536671
1-methyl-4-[phenyl(propoxy)methyl]benzene
CID 54382280
2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate
CID 81357175
2-[2-(2-hydroxyethoxy)ethylamino]-3-methyl-1-(4-methylphenyl)butan-1-ol
CID 82312437
4-chloro-4-(4-methylphenyl)butan-1-ol
CID 82366948
1-(3,4-dimethylphenyl)-3-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]urea
CID 90536682
1-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-(2-methoxyethyl)urea
CID 90536676
2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol
CID 82312260
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 90536519

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethoxy-(4-methylphenyl)methoxy]ethanol?
The IUPAC name of 2-[2-hydroxyethoxy-(4-methylphenyl)methoxy]ethanol (CID 129088325) is 2-[2-hydroxyethoxy-(4-methylphenyl)methoxy]ethanol.
What is the SMILES notation for 2-[2-hydroxyethoxy-(4-methylphenyl)methoxy]ethanol?
The canonical SMILES for 2-[2-hydroxyethoxy-(4-methylphenyl)methoxy]ethanol is Cc1ccc(C(OCCO)OCCO)cc1.
What is the InChIKey of 2-[2-hydroxyethoxy-(4-methylphenyl)methoxy]ethanol?
The InChIKey is MHMSTUINQQFYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-10-2-4-11(5-3-10)12(15-8-6-13)16-9-7-14/h2-5,12-14H,6-9H2,1H3.
What are the key properties of 2-[2-hydroxyethoxy-(4-methylphenyl)methoxy]ethanol?
2-[2-hydroxyethoxy-(4-methylphenyl)methoxy]ethanol has a molecular weight of 226.27 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethoxy-(4-methylphenyl)methoxy]ethanol is sourced from PubChem (CID 129088325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).