(2S)-1,4-bis(phenylmethoxy)butan-2-ol

C18H22O3 — CID 14814227

IUPAC(2S)-1,4-bis(phenylmethoxy)butan-2-ol
SMILESO[C@@H](CCOCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C18H22O3/c19-18(15-21-14-17-9-5-2-6-10-17)11-12-20-13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2/t18-/m0/s1
InChIKeyOQRYLHKBIBPOHV-SFHVURJKSA-N
MW286.37 g/mol
LogP3.17
Rot. Bonds9

About (2S)-1,4-bis(phenylmethoxy)butan-2-ol

(2S)-1,4-bis(phenylmethoxy)butan-2-ol (PubChem CID 14814227) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is (2S)-1,4-bis(phenylmethoxy)butan-2-ol.

Molecular Properties

Compound Name(2S)-1,4-bis(phenylmethoxy)butan-2-ol
PubChem CID14814227
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name(2S)-1,4-bis(phenylmethoxy)butan-2-ol
SMILESO[C@@H](CCOCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C18H22O3/c19-18(15-21-14-17-9-5-2-6-10-17)11-12-20-13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2/t18-/m0/s1
InChIKeyOQRYLHKBIBPOHV-SFHVURJKSA-N
XLogP3.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.17
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

(3R)-5-phenylmethoxypentane-1,3-diol
CID 73332901
1-octadecoxy-4-phenylmethoxybutan-2-ol
CID 10906454
(4S)-5-phenylmethoxypentane-1,4-diol
CID 13181690
5-methyl-1-phenylmethoxyhexan-3-ol
CID 121302735
5-(2-phenylmethoxyethoxy)pentane-1,3-diol
CID 66870835
4-hydroxy-6-phenylmethoxyhexanoic acid
CID 130913832
1,4-bis(phenylmethoxy)butan-2-yloxymethanediol
CID 166952138
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
CID 172760983
CID 172760983
1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
CID 106939746
(3R)-1-phenylmethoxyhept-6-en-3-ol
CID 59371366

Frequently Asked Questions

What is the IUPAC name of (2S)-1,4-bis(phenylmethoxy)butan-2-ol?
The IUPAC name of (2S)-1,4-bis(phenylmethoxy)butan-2-ol (CID 14814227) is (2S)-1,4-bis(phenylmethoxy)butan-2-ol.
What is the SMILES notation for (2S)-1,4-bis(phenylmethoxy)butan-2-ol?
The canonical SMILES for (2S)-1,4-bis(phenylmethoxy)butan-2-ol is O[C@@H](CCOCc1ccccc1)COCc1ccccc1.
What is the InChIKey of (2S)-1,4-bis(phenylmethoxy)butan-2-ol?
The InChIKey is OQRYLHKBIBPOHV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22O3/c19-18(15-21-14-17-9-5-2-6-10-17)11-12-20-13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2/t18-/m0/s1.
What are the key properties of (2S)-1,4-bis(phenylmethoxy)butan-2-ol?
(2S)-1,4-bis(phenylmethoxy)butan-2-ol has a molecular weight of 286.37 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,4-bis(phenylmethoxy)butan-2-ol is sourced from PubChem (CID 14814227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).