bis(2-phenylpropoxy)methanol

C19H24O3 — CID 89428538

IUPACbis(2-phenylpropoxy)methanol
SMILESCC(COC(O)OCC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24O3/c1-15(17-9-5-3-6-10-17)13-21-19(20)22-14-16(2)18-11-7-4-8-12-18/h3-12,15-16,19-20H,13-14H2,1-2H3
InChIKeyISZNDYPKACVXCL-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.90
Rot. Bonds8

About bis(2-phenylpropoxy)methanol

bis(2-phenylpropoxy)methanol (PubChem CID 89428538) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is bis(2-phenylpropoxy)methanol.

Molecular Properties

Compound Namebis(2-phenylpropoxy)methanol
PubChem CID89428538
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Namebis(2-phenylpropoxy)methanol
SMILESCC(COC(O)OCC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24O3/c1-15(17-9-5-3-6-10-17)13-21-19(20)22-14-16(2)18-11-7-4-8-12-18/h3-12,15-16,19-20H,13-14H2,1-2H3
InChIKeyISZNDYPKACVXCL-UHFFFAOYSA-N
XLogP3.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-propan-2-yloxypropan-2-yl]benzene
CID 157034832
1-methoxypropan-2-ylbenzene;uranium
CID 145056385
2-phenylpropyl 2-methylpropanoate
CID 576240
2-[(2S)-2-phenylpropoxy]ethanol
CID 146643647
[(2S)-2-phenylpropyl] acetate
CID 10261650
[(2R)-2-phenylpropyl] carbamate
CID 175384997
2-[(2R)-2-phenylpropoxy]acetic acid
CID 124585460
3-phenylbutane-1,1-diol
CID 18417931
[(2R)-2-phenylpropyl] benzoate
CID 101021839
1-phenyl-2-(1-phenylethoxy)ethanol
CID 57324442
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449

Frequently Asked Questions

What is the IUPAC name of bis(2-phenylpropoxy)methanol?
The IUPAC name of bis(2-phenylpropoxy)methanol (CID 89428538) is bis(2-phenylpropoxy)methanol.
What is the SMILES notation for bis(2-phenylpropoxy)methanol?
The canonical SMILES for bis(2-phenylpropoxy)methanol is CC(COC(O)OCC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of bis(2-phenylpropoxy)methanol?
The InChIKey is ISZNDYPKACVXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-15(17-9-5-3-6-10-17)13-21-19(20)22-14-16(2)18-11-7-4-8-12-18/h3-12,15-16,19-20H,13-14H2,1-2H3.
What are the key properties of bis(2-phenylpropoxy)methanol?
bis(2-phenylpropoxy)methanol has a molecular weight of 300.40 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-phenylpropoxy)methanol is sourced from PubChem (CID 89428538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).