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

C17H20O3 — CID 3031029

IUPAC2,3-bis(4-methylphenoxy)propan-1-ol
SMILESCc1ccc(OCC(CO)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C17H20O3/c1-13-3-7-15(8-4-13)19-12-17(11-18)20-16-9-5-14(2)6-10-16/h3-10,17-18H,11-12H2,1-2H3
InChIKeyNLGAWVDKFTUEDN-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.12
Rot. Bonds6

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

2,3-bis(4-methylphenoxy)propan-1-ol (PubChem CID 3031029) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2,3-bis(4-methylphenoxy)propan-1-ol.

Molecular Properties

Compound Name2,3-bis(4-methylphenoxy)propan-1-ol
PubChem CID3031029
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name2,3-bis(4-methylphenoxy)propan-1-ol
SMILESCc1ccc(OCC(CO)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C17H20O3/c1-13-3-7-15(8-4-13)19-12-17(11-18)20-16-9-5-14(2)6-10-16/h3-10,17-18H,11-12H2,1-2H3
InChIKeyNLGAWVDKFTUEDN-UHFFFAOYSA-N
XLogP3.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-(4-methylphenoxy)propan-1-ol
CID 86054992
4-methoxy-2-[(4-methylphenoxy)methyl]butan-1-ol
CID 117236908
(2S)-2-(4-fluorophenoxy)-3-methoxypropan-1-ol
CID 129408269
3-[4-[N-[4-(2,3-dihydroxypropoxy)phenyl]-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenoxy]propane-1,2-diol
CID 58892559
(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine
CID 39109844
3-methoxy-2-phenoxypropan-1-ol
CID 154118183
2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
CID 61166956
N-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide
CID 65312489
2-chloro-3-(4-methylphenoxy)propanoic acid
CID 22378514
(2S)-2-[[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]amino]butan-1-ol
CID 41474772
[(2R)-1-cyano-3-(4-methylphenoxy)propan-2-yl] acetate
CID 11218534
1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol
CID 105077329

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methylphenoxy)propan-1-ol?
The IUPAC name of 2,3-bis(4-methylphenoxy)propan-1-ol (CID 3031029) is 2,3-bis(4-methylphenoxy)propan-1-ol.
What is the SMILES notation for 2,3-bis(4-methylphenoxy)propan-1-ol?
The canonical SMILES for 2,3-bis(4-methylphenoxy)propan-1-ol is Cc1ccc(OCC(CO)Oc2ccc(C)cc2)cc1.
What is the InChIKey of 2,3-bis(4-methylphenoxy)propan-1-ol?
The InChIKey is NLGAWVDKFTUEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-13-3-7-15(8-4-13)19-12-17(11-18)20-16-9-5-14(2)6-10-16/h3-10,17-18H,11-12H2,1-2H3.
What are the key properties of 2,3-bis(4-methylphenoxy)propan-1-ol?
2,3-bis(4-methylphenoxy)propan-1-ol has a molecular weight of 272.34 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methylphenoxy)propan-1-ol is sourced from PubChem (CID 3031029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).