methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene

C17H32O4 — CID 165070743

IUPACmethanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene
SMILESCC(C)COCO.CC(C)COCc1ccccc1.CO
InChIInChI=1S/C11H16O.C5H12O2.CH4O/c1-10(2)8-12-9-11-6-4-3-5-7-11;1-5(2)3-7-4-6;1-2/h3-7,10H,8-9H2,1-2H3;5-6H,3-4H2,1-2H3;2H,1H3
InChIKeySSDIZAWLAMKYLW-UHFFFAOYSA-N
MW300.44 g/mol
LogP3.08
Rot. Bonds7

About methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene

methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene (PubChem CID 165070743) has the molecular formula C17H32O4 and a molecular weight of 300.44 g/mol. Its IUPAC name is methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene.

Molecular Properties

Compound Namemethanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene
PubChem CID165070743
Molecular FormulaC17H32O4
Molecular Weight300.44 g/mol
Exact Mass300.23
IUPAC Namemethanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene
SMILESCC(C)COCO.CC(C)COCc1ccccc1.CO
InChIInChI=1S/C11H16O.C5H12O2.CH4O/c1-10(2)8-12-9-11-6-4-3-5-7-11;1-5(2)3-7-4-6;1-2/h3-7,10H,8-9H2,1-2H3;5-6H,3-4H2,1-2H3;2H,1H3
InChIKeySSDIZAWLAMKYLW-UHFFFAOYSA-N
XLogP3.08
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
4-(2-methylpropoxymethyl)phenol
CID 11159667
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407
2-phenylmethoxyethane-1,1-diol
CID 59866645
(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
CID 13182140
(2S,4R,6S)-2,4,6-trimethyl-7-phenylmethoxyheptan-1-ol
CID 134854729
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol
CID 165127908
(2R,3S)-2-(2-methylpropyl)-4-phenylmethoxybutane-1,3-diol
CID 102572212
(2S)-4-methyl-1-phenylmethoxypentan-2-amine
CID 13228786
4-methyl-1-phenylmethoxypentan-2-amine
CID 13228785

Frequently Asked Questions

What is the IUPAC name of methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene?
The IUPAC name of methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene (CID 165070743) is methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene.
What is the SMILES notation for methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene?
The canonical SMILES for methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene is CC(C)COCO.CC(C)COCc1ccccc1.CO.
What is the InChIKey of methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene?
The InChIKey is SSDIZAWLAMKYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C5H12O2.CH4O/c1-10(2)8-12-9-11-6-4-3-5-7-11;1-5(2)3-7-4-6;1-2/h3-7,10H,8-9H2,1-2H3;5-6H,3-4H2,1-2H3;2H,1H3.
What are the key properties of methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene?
methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene has a molecular weight of 300.44 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene is sourced from PubChem (CID 165070743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).