2-methyl-3-(3-phenoxypropoxy)phenol

C16H18O3 — CID 62936106

IUPAC2-methyl-3-(3-phenoxypropoxy)phenol
SMILESCc1c(O)cccc1OCCCOc1ccccc1
InChIInChI=1S/C16H18O3/c1-13-15(17)9-5-10-16(13)19-12-6-11-18-14-7-3-2-4-8-14/h2-5,7-10,17H,6,11-12H2,1H3
InChIKeySVTZYQWGUCACIN-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.55
Rot. Bonds6

About 2-methyl-3-(3-phenoxypropoxy)phenol

2-methyl-3-(3-phenoxypropoxy)phenol (PubChem CID 62936106) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methyl-3-(3-phenoxypropoxy)phenol.

Molecular Properties

Compound Name2-methyl-3-(3-phenoxypropoxy)phenol
PubChem CID62936106
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name2-methyl-3-(3-phenoxypropoxy)phenol
SMILESCc1c(O)cccc1OCCCOc1ccccc1
InChIInChI=1S/C16H18O3/c1-13-15(17)9-5-10-16(13)19-12-6-11-18-14-7-3-2-4-8-14/h2-5,7-10,17H,6,11-12H2,1H3
InChIKeySVTZYQWGUCACIN-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminoethoxy)-2-methylphenol
CID 83620006
2-methyl-3-(phenylmethoxymethoxy)phenol
CID 102939968
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol
CID 104564323
2-methyl-3-(3-phenylprop-2-ynoxy)phenol
CID 62339193
2-methyl-3-[3-(4-methylphenoxy)propoxy]aniline
CID 82097227
1-bromo-2-(3-phenoxypropoxy)benzene
CID 60665314
1-methoxy-2-(4-phenoxybutoxy)benzene
CID 2252132
2-[2-(3-phenoxypropoxy)phenyl]ethanol
CID 107258184
2-[3-(3-methylphenoxy)propoxy]benzoic acid
CID 43214606
2-(3-phenoxypropoxy)benzaldehyde
CID 60665355
1-[2-hydroxy-3-methyl-4-(4-phenoxybutoxy)phenyl]-3-methylbutan-1-one
CID 11494153
1,3-dibutoxy-2-methylbenzene
CID 14475066

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-phenoxypropoxy)phenol?
The IUPAC name of 2-methyl-3-(3-phenoxypropoxy)phenol (CID 62936106) is 2-methyl-3-(3-phenoxypropoxy)phenol.
What is the SMILES notation for 2-methyl-3-(3-phenoxypropoxy)phenol?
The canonical SMILES for 2-methyl-3-(3-phenoxypropoxy)phenol is Cc1c(O)cccc1OCCCOc1ccccc1.
What is the InChIKey of 2-methyl-3-(3-phenoxypropoxy)phenol?
The InChIKey is SVTZYQWGUCACIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-13-15(17)9-5-10-16(13)19-12-6-11-18-14-7-3-2-4-8-14/h2-5,7-10,17H,6,11-12H2,1H3.
What are the key properties of 2-methyl-3-(3-phenoxypropoxy)phenol?
2-methyl-3-(3-phenoxypropoxy)phenol has a molecular weight of 258.32 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-phenoxypropoxy)phenol is sourced from PubChem (CID 62936106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).