[4-(hydroxymethoxy)-3,5-dimethylphenoxy]methanol

C10H14O4 — CID 139835517

IUPAC[4-(hydroxymethoxy)-3,5-dimethylphenoxy]methanol
SMILESCc1cc(OCO)cc(C)c1OCO
InChIInChI=1S/C10H14O4/c1-7-3-9(13-5-11)4-8(2)10(7)14-6-12/h3-4,11-12H,5-6H2,1-2H3
InChIKeyVJPYLBUADZYBCW-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.96
Rot. Bonds4

About [4-(hydroxymethoxy)-3,5-dimethylphenoxy]methanol

[4-(hydroxymethoxy)-3,5-dimethylphenoxy]methanol (PubChem CID 139835517) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is [4-(hydroxymethoxy)-3,5-dimethylphenoxy]methanol.

Molecular Properties

Compound Name[4-(hydroxymethoxy)-3,5-dimethylphenoxy]methanol
PubChem CID139835517
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name[4-(hydroxymethoxy)-3,5-dimethylphenoxy]methanol
SMILESCc1cc(OCO)cc(C)c1OCO
InChIInChI=1S/C10H14O4/c1-7-3-9(13-5-11)4-8(2)10(7)14-6-12/h3-4,11-12H,5-6H2,1-2H3
InChIKeyVJPYLBUADZYBCW-UHFFFAOYSA-N
XLogP0.96
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.96
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

ethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol
CID 91115975
2-ethoxy-5-methoxy-1,3-dimethylbenzene
CID 130882299
5-methoxy-2-(3-methoxypropoxy)-1,3-dimethylbenzene
CID 22963239
ethane;5-methoxy-1,3-dimethyl-2-propoxybenzene
CID 90702699
2-(4-ethoxy-3,5-dimethylphenyl)ethanol
CID 91657255
5-(2,4,6-trimethylphenoxy)pentan-1-ol
CID 62228821
(4-butoxy-3,5-dimethylphenyl) acetate
CID 91036893
[4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 105404106
[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methanol
CID 65457601
[4-[2-[2-[2-(3,5-dimethyl-4-nitrooxyphenoxy)ethoxy]ethoxy]ethoxy]-2,6-dimethylphenyl] nitrate
CID 175836970
1,3-bis(2,4,6-trimethylphenoxy)propan-2-ol
CID 121215502
6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol
CID 107723451

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethoxy)-3,5-dimethylphenoxy]methanol?
The IUPAC name of [4-(hydroxymethoxy)-3,5-dimethylphenoxy]methanol (CID 139835517) is [4-(hydroxymethoxy)-3,5-dimethylphenoxy]methanol.
What is the SMILES notation for [4-(hydroxymethoxy)-3,5-dimethylphenoxy]methanol?
The canonical SMILES for [4-(hydroxymethoxy)-3,5-dimethylphenoxy]methanol is Cc1cc(OCO)cc(C)c1OCO.
What is the InChIKey of [4-(hydroxymethoxy)-3,5-dimethylphenoxy]methanol?
The InChIKey is VJPYLBUADZYBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-7-3-9(13-5-11)4-8(2)10(7)14-6-12/h3-4,11-12H,5-6H2,1-2H3.
What are the key properties of [4-(hydroxymethoxy)-3,5-dimethylphenoxy]methanol?
[4-(hydroxymethoxy)-3,5-dimethylphenoxy]methanol has a molecular weight of 198.22 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethoxy)-3,5-dimethylphenoxy]methanol is sourced from PubChem (CID 139835517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).