[2,6-di(propan-2-yl)phenyl]methoxymethanol

C14H22O2 — CID 143066004

IUPAC[2,6-di(propan-2-yl)phenyl]methoxymethanol
SMILESCC(C)c1cccc(C(C)C)c1COCO
InChIInChI=1S/C14H22O2/c1-10(2)12-6-5-7-13(11(3)4)14(12)8-16-9-15/h5-7,10-11,15H,8-9H2,1-4H3
InChIKeySDJGMZFFNUPWAI-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.40
Rot. Bonds5

About [2,6-di(propan-2-yl)phenyl]methoxymethanol

[2,6-di(propan-2-yl)phenyl]methoxymethanol (PubChem CID 143066004) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl]methoxymethanol.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenyl]methoxymethanol
PubChem CID143066004
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name[2,6-di(propan-2-yl)phenyl]methoxymethanol
SMILESCC(C)c1cccc(C(C)C)c1COCO
InChIInChI=1S/C14H22O2/c1-10(2)12-6-5-7-13(11(3)4)14(12)8-16-9-15/h5-7,10-11,15H,8-9H2,1-4H3
InChIKeySDJGMZFFNUPWAI-UHFFFAOYSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-iodoethyl)-1,3-di(propan-2-yl)benzene
CID 155328338
2-ethyl-3-propan-2-ylbenzoic acid
CID 89352889
3-propan-2-yl-2-(propan-2-yloxymethyl)aniline
CID 174277979
2-[2,6-di(propan-2-yl)phenyl]acetyl chloride
CID 19362782
2-(methylsulfanylmethyl)-1,3-di(propan-2-yl)benzene
CID 71264347
2,5-bis[2,6-di(propan-2-yl)phenyl]-3,4-bis(2-methoxyethoxymethyl)thiophene
CID 118298822
4-[2,6-di(propan-2-yl)phenyl]but-3-en-1-ol
CID 170477366
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 117297911
2,6-di(propan-2-yl)phenol;silver
CID 174803720
4-[2,6-di(propan-2-yl)phenyl]butan-2-amine
CID 174789364
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
3-[2-(2-hydroxypropyl)-6-propan-2-ylphenyl]-2-methylpropan-1-ol
CID 123796144

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl]methoxymethanol?
The IUPAC name of [2,6-di(propan-2-yl)phenyl]methoxymethanol (CID 143066004) is [2,6-di(propan-2-yl)phenyl]methoxymethanol.
What is the SMILES notation for [2,6-di(propan-2-yl)phenyl]methoxymethanol?
The canonical SMILES for [2,6-di(propan-2-yl)phenyl]methoxymethanol is CC(C)c1cccc(C(C)C)c1COCO.
What is the InChIKey of [2,6-di(propan-2-yl)phenyl]methoxymethanol?
The InChIKey is SDJGMZFFNUPWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10(2)12-6-5-7-13(11(3)4)14(12)8-16-9-15/h5-7,10-11,15H,8-9H2,1-4H3.
What are the key properties of [2,6-di(propan-2-yl)phenyl]methoxymethanol?
[2,6-di(propan-2-yl)phenyl]methoxymethanol has a molecular weight of 222.33 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenyl]methoxymethanol is sourced from PubChem (CID 143066004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).