1-(3-phenylmethoxyphenyl)propane-1,2-diol

C16H18O3 — CID 137375721

IUPAC1-(3-phenylmethoxyphenyl)propane-1,2-diol
SMILESCC(O)C(O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H18O3/c1-12(17)16(18)14-8-5-9-15(10-14)19-11-13-6-3-2-4-7-13/h2-10,12,16-18H,11H2,1H3
InChIKeyFVWJIMLHWPDZPZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.68
Rot. Bonds5

About 1-(3-phenylmethoxyphenyl)propane-1,2-diol

1-(3-phenylmethoxyphenyl)propane-1,2-diol (PubChem CID 137375721) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3-phenylmethoxyphenyl)propane-1,2-diol.

Molecular Properties

Compound Name1-(3-phenylmethoxyphenyl)propane-1,2-diol
PubChem CID137375721
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name1-(3-phenylmethoxyphenyl)propane-1,2-diol
SMILESCC(O)C(O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H18O3/c1-12(17)16(18)14-8-5-9-15(10-14)19-11-13-6-3-2-4-7-13/h2-10,12,16-18H,11H2,1H3
InChIKeyFVWJIMLHWPDZPZ-UHFFFAOYSA-N
XLogP2.68
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol
CID 21288530
2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid
CID 67882455
(3,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methanol
CID 69204493
[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium
CID 7311571
(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243477
3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265
1-[3-(phenylmethoxymethoxy)phenyl]ethanol
CID 102939820
[(2R)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid
CID 172834539
[(2S)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid
CID 172834538
(2R)-2-amino-2-(3-phenylmethoxyphenyl)ethanol
CID 66515455
(1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 63366566

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylmethoxyphenyl)propane-1,2-diol?
The IUPAC name of 1-(3-phenylmethoxyphenyl)propane-1,2-diol (CID 137375721) is 1-(3-phenylmethoxyphenyl)propane-1,2-diol.
What is the SMILES notation for 1-(3-phenylmethoxyphenyl)propane-1,2-diol?
The canonical SMILES for 1-(3-phenylmethoxyphenyl)propane-1,2-diol is CC(O)C(O)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 1-(3-phenylmethoxyphenyl)propane-1,2-diol?
The InChIKey is FVWJIMLHWPDZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-12(17)16(18)14-8-5-9-15(10-14)19-11-13-6-3-2-4-7-13/h2-10,12,16-18H,11H2,1H3.
What are the key properties of 1-(3-phenylmethoxyphenyl)propane-1,2-diol?
1-(3-phenylmethoxyphenyl)propane-1,2-diol has a molecular weight of 258.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylmethoxyphenyl)propane-1,2-diol is sourced from PubChem (CID 137375721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).