(2-hydroxy-3-phenylmethoxyphenyl)methanediol

C14H14O4 — CID 155107233

IUPAC(2-hydroxy-3-phenylmethoxyphenyl)methanediol
SMILESOc1c(OCc2ccccc2)cccc1C(O)O
InChIInChI=1S/C14H14O4/c15-13-11(14(16)17)7-4-8-12(13)18-9-10-5-2-1-3-6-10/h1-8,14-17H,9H2
InChIKeyQNNGBJNBSYOWMY-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.95
Rot. Bonds4

About (2-hydroxy-3-phenylmethoxyphenyl)methanediol

(2-hydroxy-3-phenylmethoxyphenyl)methanediol (PubChem CID 155107233) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2-hydroxy-3-phenylmethoxyphenyl)methanediol.

Molecular Properties

Compound Name(2-hydroxy-3-phenylmethoxyphenyl)methanediol
PubChem CID155107233
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name(2-hydroxy-3-phenylmethoxyphenyl)methanediol
SMILESOc1c(OCc2ccccc2)cccc1C(O)O
InChIInChI=1S/C14H14O4/c15-13-11(14(16)17)7-4-8-12(13)18-9-10-5-2-1-3-6-10/h1-8,14-17H,9H2
InChIKeyQNNGBJNBSYOWMY-UHFFFAOYSA-N
XLogP1.95
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-phenylmethoxyphenol
CID 67346586
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
1-(2-phenylmethoxyphenyl)propane-1,2,3-triol
CID 170819028
2-(aminomethyl)-6-phenylmethoxyphenol
CID 117330545
2-amino-2-(2-phenylmethoxyphenyl)ethanol
CID 77130440
4-hydroxy-2-oxo-4-(2-phenylmethoxyphenyl)butanoic acid
CID 46843530
2-(3-ethoxy-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 67418019
2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid
CID 67659398
1-(2-amino-3-phenylmethoxyphenyl)propane-1-thiol
CID 141043165
(1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol
CID 171265324
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-phenylmethoxyphenyl)methanediol?
The IUPAC name of (2-hydroxy-3-phenylmethoxyphenyl)methanediol (CID 155107233) is (2-hydroxy-3-phenylmethoxyphenyl)methanediol.
What is the SMILES notation for (2-hydroxy-3-phenylmethoxyphenyl)methanediol?
The canonical SMILES for (2-hydroxy-3-phenylmethoxyphenyl)methanediol is Oc1c(OCc2ccccc2)cccc1C(O)O.
What is the InChIKey of (2-hydroxy-3-phenylmethoxyphenyl)methanediol?
The InChIKey is QNNGBJNBSYOWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c15-13-11(14(16)17)7-4-8-12(13)18-9-10-5-2-1-3-6-10/h1-8,14-17H,9H2.
What are the key properties of (2-hydroxy-3-phenylmethoxyphenyl)methanediol?
(2-hydroxy-3-phenylmethoxyphenyl)methanediol has a molecular weight of 246.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-phenylmethoxyphenyl)methanediol is sourced from PubChem (CID 155107233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).