2-methyl-3-(phenylmethoxymethoxy)phenol

C15H16O3 — CID 102939968

IUPAC2-methyl-3-(phenylmethoxymethoxy)phenol
SMILESCc1c(O)cccc1OCOCc1ccccc1
InChIInChI=1S/C15H16O3/c1-12-14(16)8-5-9-15(12)18-11-17-10-13-6-3-2-4-7-13/h2-9,16H,10-11H2,1H3
InChIKeyNQHARVGZUWIPKF-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.25
Rot. Bonds5

About 2-methyl-3-(phenylmethoxymethoxy)phenol

2-methyl-3-(phenylmethoxymethoxy)phenol (PubChem CID 102939968) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-methyl-3-(phenylmethoxymethoxy)phenol.

Molecular Properties

Compound Name2-methyl-3-(phenylmethoxymethoxy)phenol
PubChem CID102939968
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name2-methyl-3-(phenylmethoxymethoxy)phenol
SMILESCc1c(O)cccc1OCOCc1ccccc1
InChIInChI=1S/C15H16O3/c1-12-14(16)8-5-9-15(12)18-11-17-10-13-6-3-2-4-7-13/h2-9,16H,10-11H2,1H3
InChIKeyNQHARVGZUWIPKF-UHFFFAOYSA-N
XLogP3.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.25
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'}

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Related Compounds

2-methyl-3-(3-phenoxypropoxy)phenol
CID 62936106
2-methyl-3-(3-phenylprop-2-ynoxy)phenol
CID 62339193
4-methyl-3-(phenylmethoxymethoxy)benzoic acid
CID 102939348
(2-methyl-3-phenylmethoxyphenyl)methanol
CID 58087471
6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid
CID 102939706
4-methyl-3-(phenylmethoxymethoxy)benzenecarbothioamide
CID 107656356
1,3-dimethyl-5-(phenylmethoxymethoxy)benzene
CID 102940828
2-bromo-3-methyl-4-phenylmethoxyphenol
CID 150350676
ethane;(2-methyl-3-phenylmethoxyphenyl)methanol
CID 143384106
2-fluoro-3-(phenylmethoxymethoxy)pyridine
CID 102941131
3-(2-aminoethoxy)-2-methylphenol
CID 83620006
1-methyl-2-(phenylmethoxymethoxy)-4-propan-2-ylbenzene
CID 102940832

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(phenylmethoxymethoxy)phenol?
The IUPAC name of 2-methyl-3-(phenylmethoxymethoxy)phenol (CID 102939968) is 2-methyl-3-(phenylmethoxymethoxy)phenol.
What is the SMILES notation for 2-methyl-3-(phenylmethoxymethoxy)phenol?
The canonical SMILES for 2-methyl-3-(phenylmethoxymethoxy)phenol is Cc1c(O)cccc1OCOCc1ccccc1.
What is the InChIKey of 2-methyl-3-(phenylmethoxymethoxy)phenol?
The InChIKey is NQHARVGZUWIPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-12-14(16)8-5-9-15(12)18-11-17-10-13-6-3-2-4-7-13/h2-9,16H,10-11H2,1H3.
What are the key properties of 2-methyl-3-(phenylmethoxymethoxy)phenol?
2-methyl-3-(phenylmethoxymethoxy)phenol has a molecular weight of 244.29 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(phenylmethoxymethoxy)phenol is sourced from PubChem (CID 102939968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).