2-phenylmethoxybenzene-1,3-diol

C13H12O3 — CID 15652625

IUPAC2-phenylmethoxybenzene-1,3-diol
SMILESOc1cccc(O)c1OCc1ccccc1
InChIInChI=1S/C13H12O3/c14-11-7-4-8-12(15)13(11)16-9-10-5-2-1-3-6-10/h1-8,14-15H,9H2
InChIKeySSSLBIHIHVKKCG-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.68
Rot. Bonds3

About 2-phenylmethoxybenzene-1,3-diol

2-phenylmethoxybenzene-1,3-diol (PubChem CID 15652625) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-phenylmethoxybenzene-1,3-diol.

Molecular Properties

Compound Name2-phenylmethoxybenzene-1,3-diol
PubChem CID15652625
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name2-phenylmethoxybenzene-1,3-diol
SMILESOc1cccc(O)c1OCc1ccccc1
InChIInChI=1S/C13H12O3/c14-11-7-4-8-12(15)13(11)16-9-10-5-2-1-3-6-10/h1-8,14-15H,9H2
InChIKeySSSLBIHIHVKKCG-UHFFFAOYSA-N
XLogP2.68
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-phenylmethoxybenzoic acid
CID 67658329
3-methyl-4-phenylmethoxynaphthalen-1-ol
CID 12051652
3,5-dihydroxy-2-phenylmethoxybenzoic acid
CID 118873136
CID 6334341
CID 6334341
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
6-hydroxy-3-phenyl-2-phenylmethoxybenzoic acid;phenylmethanol
CID 174745981
propyl 3,5-dihydroxy-4-phenylmethoxybenzoate
CID 50923904
1-benzyl-3-phenyl-2-phenylmethoxybenzene
CID 58238649
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
2-bromo-6-phenylmethoxyphenol
CID 67346586
1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol
CID 170547313
1-ethyl-3-phenyl-2-phenylmethoxybenzene
CID 123935467

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxybenzene-1,3-diol?
The IUPAC name of 2-phenylmethoxybenzene-1,3-diol (CID 15652625) is 2-phenylmethoxybenzene-1,3-diol.
What is the SMILES notation for 2-phenylmethoxybenzene-1,3-diol?
The canonical SMILES for 2-phenylmethoxybenzene-1,3-diol is Oc1cccc(O)c1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxybenzene-1,3-diol?
The InChIKey is SSSLBIHIHVKKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c14-11-7-4-8-12(15)13(11)16-9-10-5-2-1-3-6-10/h1-8,14-15H,9H2.
What are the key properties of 2-phenylmethoxybenzene-1,3-diol?
2-phenylmethoxybenzene-1,3-diol has a molecular weight of 216.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxybenzene-1,3-diol is sourced from PubChem (CID 15652625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).