4-(2-hydroxyethoxy)phenol

C32H40O12 — CID 139085876

IUPAC4-(2-hydroxyethoxy)phenol
SMILESOCCOc1ccc(O)cc1.OCCOc1ccc(O)cc1.OCCOc1ccc(O)cc1.OCCOc1ccc(O)cc1
InChIInChI=1S/4C8H10O3/c4*9-5-6-11-8-3-1-7(10)2-4-8/h4*1-4,9-10H,5-6H2
InChIKeyLPPIKQBWDPNBGH-UHFFFAOYSA-N
MW616.66 g/mol
LogP3.05
Rot. Bonds12

About 4-(2-hydroxyethoxy)phenol

4-(2-hydroxyethoxy)phenol (PubChem CID 139085876) has the molecular formula C32H40O12 and a molecular weight of 616.66 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)phenol.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)phenol
PubChem CID139085876
Molecular FormulaC32H40O12
Molecular Weight616.66 g/mol
Exact Mass616.25
IUPAC Name4-(2-hydroxyethoxy)phenol
SMILESOCCOc1ccc(O)cc1.OCCOc1ccc(O)cc1.OCCOc1ccc(O)cc1.OCCOc1ccc(O)cc1
InChIInChI=1S/4C8H10O3/c4*9-5-6-11-8-3-1-7(10)2-4-8/h4*1-4,9-10H,5-6H2
InChIKeyLPPIKQBWDPNBGH-UHFFFAOYSA-N
XLogP3.05
TPSA198.76 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500616.66
LogP ≤ 53.05
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)phenol?
The IUPAC name of 4-(2-hydroxyethoxy)phenol (CID 139085876) is 4-(2-hydroxyethoxy)phenol.
What is the SMILES notation for 4-(2-hydroxyethoxy)phenol?
The canonical SMILES for 4-(2-hydroxyethoxy)phenol is OCCOc1ccc(O)cc1.OCCOc1ccc(O)cc1.OCCOc1ccc(O)cc1.OCCOc1ccc(O)cc1.
What is the InChIKey of 4-(2-hydroxyethoxy)phenol?
The InChIKey is LPPIKQBWDPNBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H10O3/c4*9-5-6-11-8-3-1-7(10)2-4-8/h4*1-4,9-10H,5-6H2.
What are the key properties of 4-(2-hydroxyethoxy)phenol?
4-(2-hydroxyethoxy)phenol has a molecular weight of 616.66 g/mol, XLogP of 3.05, 12 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)phenol is sourced from PubChem (CID 139085876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).