1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol

C29H28O5 — CID 3030941

IUPAC1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
SMILESOC(COc1ccc(OCc2ccccc2)cc1)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H28O5/c30-25(21-33-28-15-11-26(12-16-28)31-19-23-7-3-1-4-8-23)22-34-29-17-13-27(14-18-29)32-20-24-9-5-2-6-10-24/h1-18,25,30H,19-22H2
InChIKeyQXLKKWVBOUWVOV-UHFFFAOYSA-N
MW456.54 g/mol
LogP5.66
Rot. Bonds12

About 1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol

1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol (PubChem CID 3030941) has the molecular formula C29H28O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is 1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
PubChem CID3030941
Molecular FormulaC29H28O5
Molecular Weight456.54 g/mol
Exact Mass456.19
IUPAC Name1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
SMILESOC(COc1ccc(OCc2ccccc2)cc1)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C29H28O5/c30-25(21-33-28-15-11-26(12-16-28)31-19-23-7-3-1-4-8-23)22-34-29-17-13-27(14-18-29)32-20-24-9-5-2-6-10-24/h1-18,25,30H,19-22H2
InChIKeyQXLKKWVBOUWVOV-UHFFFAOYSA-N
XLogP5.66
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.54
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 7157614
(2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol
CID 129362160
4-[[4-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]methoxy]butane-1,3-diol
CID 138539275
(2S)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]-[2-(4-phenylmethoxyphenyl)ethyl]amino]-3-phenoxypropan-2-ol
CID 67905868
3-(4-phenylmethoxyphenyl)propane-1,2-diol
CID 19868595
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
1-(2-methoxypropoxy)-4-phenylmethoxybenzene
CID 174203616
2-methoxy-1-(4-phenylmethoxyphenyl)ethanol
CID 13050554
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
1-(1-amino-2-benzylazetidin-2-yl)-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 141048673
1-aminooxy-3-phenoxypropan-2-ol
CID 13273091

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol?
The IUPAC name of 1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol (CID 3030941) is 1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol?
The canonical SMILES for 1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol is OC(COc1ccc(OCc2ccccc2)cc1)COc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol?
The InChIKey is QXLKKWVBOUWVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O5/c30-25(21-33-28-15-11-26(12-16-28)31-19-23-7-3-1-4-8-23)22-34-29-17-13-27(14-18-29)32-20-24-9-5-2-6-10-24/h1-18,25,30H,19-22H2.
What are the key properties of 1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol?
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol has a molecular weight of 456.54 g/mol, XLogP of 5.66, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol is sourced from PubChem (CID 3030941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).