1-[3-(phenylmethoxymethoxy)phenyl]ethanol

C16H18O3 — CID 102939820

IUPAC1-[3-(phenylmethoxymethoxy)phenyl]ethanol
SMILESCC(O)c1cccc(OCOCc2ccccc2)c1
InChIInChI=1S/C16H18O3/c1-13(17)15-8-5-9-16(10-15)19-12-18-11-14-6-3-2-4-7-14/h2-10,13,17H,11-12H2,1H3
InChIKeyKQXREJAZBGWTIN-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.29
Rot. Bonds6

About 1-[3-(phenylmethoxymethoxy)phenyl]ethanol

1-[3-(phenylmethoxymethoxy)phenyl]ethanol (PubChem CID 102939820) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[3-(phenylmethoxymethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-(phenylmethoxymethoxy)phenyl]ethanol
PubChem CID102939820
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name1-[3-(phenylmethoxymethoxy)phenyl]ethanol
SMILESCC(O)c1cccc(OCOCc2ccccc2)c1
InChIInChI=1S/C16H18O3/c1-13(17)15-8-5-9-16(10-15)19-12-18-11-14-6-3-2-4-7-14/h2-10,13,17H,11-12H2,1H3
InChIKeyKQXREJAZBGWTIN-UHFFFAOYSA-N
XLogP3.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(phenylmethoxymethoxy)phenyl]ethanol 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

(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
(1R)-1-[2-fluoro-4-(phenylmethoxymethoxy)phenyl]ethanol
CID 107720224
(1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 63366566
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
(1S)-1-[3-[(4-bromophenyl)methoxy]phenyl]ethanol
CID 78933407
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 65476801
1-[4-(phenylmethoxymethoxy)phenyl]propan-2-ol
CID 102939869
1-[3-(phenylmethoxymethylsulfanyl)phenyl]ethanol
CID 102940806
1-[3-(2-phenylmethoxyethoxy)phenyl]propan-1-ol
CID 175772542
1-(3-phenoxyphenyl)ethanol
CID 12882419
methyl 3-(phenylmethoxymethoxy)benzoate
CID 175253615

Frequently Asked Questions

What is the IUPAC name of 1-[3-(phenylmethoxymethoxy)phenyl]ethanol?
The IUPAC name of 1-[3-(phenylmethoxymethoxy)phenyl]ethanol (CID 102939820) is 1-[3-(phenylmethoxymethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[3-(phenylmethoxymethoxy)phenyl]ethanol?
The canonical SMILES for 1-[3-(phenylmethoxymethoxy)phenyl]ethanol is CC(O)c1cccc(OCOCc2ccccc2)c1.
What is the InChIKey of 1-[3-(phenylmethoxymethoxy)phenyl]ethanol?
The InChIKey is KQXREJAZBGWTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-13(17)15-8-5-9-16(10-15)19-12-18-11-14-6-3-2-4-7-14/h2-10,13,17H,11-12H2,1H3.
What are the key properties of 1-[3-(phenylmethoxymethoxy)phenyl]ethanol?
1-[3-(phenylmethoxymethoxy)phenyl]ethanol has a molecular weight of 258.32 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(phenylmethoxymethoxy)phenyl]ethanol is sourced from PubChem (CID 102939820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).