hydroxymethoxy(phenoxy)methanol

C8H10O4 — CID 143884409

IUPAChydroxymethoxy(phenoxy)methanol
SMILESOCOC(O)Oc1ccccc1
InChIInChI=1S/C8H10O4/c9-6-11-8(10)12-7-4-2-1-3-5-7/h1-5,8-10H,6H2
InChIKeyDVIRIBUEMVXXJZ-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.31
Rot. Bonds4

About hydroxymethoxy(phenoxy)methanol

hydroxymethoxy(phenoxy)methanol (PubChem CID 143884409) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is hydroxymethoxy(phenoxy)methanol.

Molecular Properties

Compound Namehydroxymethoxy(phenoxy)methanol
PubChem CID143884409
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Namehydroxymethoxy(phenoxy)methanol
SMILESOCOC(O)Oc1ccccc1
InChIInChI=1S/C8H10O4/c9-6-11-8(10)12-7-4-2-1-3-5-7/h1-5,8-10H,6H2
InChIKeyDVIRIBUEMVXXJZ-UHFFFAOYSA-N
XLogP0.31
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.31
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

3-methoxy-2-phenoxypropan-1-ol
CID 154118183
1-phenoxyethanol
CID 66611531
trihydroxy(phenoxy)phosphanium
CID 11592959
1-phenoxybut-2-ene-1,4-diol
CID 57216161
1-phenoxyethanol;trihydrate
CID 175915128
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
1-phenoxy-2-phenylethanol
CID 54118978
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol
CID 67882501
3-chloro-1-phenoxypropan-1-ol
CID 154138508
1-phenoxybutane-1,2-diol
CID 19866542
1-phenoxypropane-1,2-diol
CID 22140567

Frequently Asked Questions

What is the IUPAC name of hydroxymethoxy(phenoxy)methanol?
The IUPAC name of hydroxymethoxy(phenoxy)methanol (CID 143884409) is hydroxymethoxy(phenoxy)methanol.
What is the SMILES notation for hydroxymethoxy(phenoxy)methanol?
The canonical SMILES for hydroxymethoxy(phenoxy)methanol is OCOC(O)Oc1ccccc1.
What is the InChIKey of hydroxymethoxy(phenoxy)methanol?
The InChIKey is DVIRIBUEMVXXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c9-6-11-8(10)12-7-4-2-1-3-5-7/h1-5,8-10H,6H2.
What are the key properties of hydroxymethoxy(phenoxy)methanol?
hydroxymethoxy(phenoxy)methanol has a molecular weight of 170.16 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethoxy(phenoxy)methanol is sourced from PubChem (CID 143884409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).