3-(4-methoxy-3-phenylanilino)propane-1,2-diol

C16H19NO3 — CID 168597528

IUPAC3-(4-methoxy-3-phenylanilino)propane-1,2-diol
SMILESCOc1ccc(NCC(O)CO)cc1-c1ccccc1
InChIInChI=1S/C16H19NO3/c1-20-16-8-7-13(17-10-14(19)11-18)9-15(16)12-5-3-2-4-6-12/h2-9,14,17-19H,10-11H2,1H3
InChIKeyLZLMFFLWUDEWSR-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.13
Rot. Bonds6

About 3-(4-methoxy-3-phenylanilino)propane-1,2-diol

3-(4-methoxy-3-phenylanilino)propane-1,2-diol (PubChem CID 168597528) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-(4-methoxy-3-phenylanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(4-methoxy-3-phenylanilino)propane-1,2-diol
PubChem CID168597528
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name3-(4-methoxy-3-phenylanilino)propane-1,2-diol
SMILESCOc1ccc(NCC(O)CO)cc1-c1ccccc1
InChIInChI=1S/C16H19NO3/c1-20-16-8-7-13(17-10-14(19)11-18)9-15(16)12-5-3-2-4-6-12/h2-9,14,17-19H,10-11H2,1H3
InChIKeyLZLMFFLWUDEWSR-UHFFFAOYSA-N
XLogP2.13
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethylanilino)propane-1,2-diol
CID 76891516
3-[3-(2-methylphenyl)anilino]propane-1,2-diol
CID 168596529
N-[5-(2,3-dihydroxypropylamino)-2-methoxyphenyl]furan-2-carboxamide
CID 168593134
1-(4-methoxy-3-phenylphenyl)ethanol
CID 117328991
3-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]amino]propane-1,2-diol
CID 168596344
3-(3-methylanilino)propane-1,2-diol
CID 3016394
(2R)-1-(3,4-dimethoxyanilino)propan-2-ol
CID 39242812
1-[[(2R)-2,3-dihydroxypropyl]amino]-6-methoxy-5-phenylisoquinoline-3-carbonitrile
CID 58767510
3-[4-propan-2-yloxy-3-(trifluoromethyl)anilino]propane-1,2-diol
CID 168593176
2-(4-methoxy-3-phenylphenyl)ethanol
CID 117328990
3-(3-chloro-4-naphthalen-2-yloxyanilino)propane-1,2-diol
CID 168596365
3-[3-chloro-4-(3,4-dimethylphenoxy)anilino]propane-1,2-diol
CID 168596712

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-phenylanilino)propane-1,2-diol?
The IUPAC name of 3-(4-methoxy-3-phenylanilino)propane-1,2-diol (CID 168597528) is 3-(4-methoxy-3-phenylanilino)propane-1,2-diol.
What is the SMILES notation for 3-(4-methoxy-3-phenylanilino)propane-1,2-diol?
The canonical SMILES for 3-(4-methoxy-3-phenylanilino)propane-1,2-diol is COc1ccc(NCC(O)CO)cc1-c1ccccc1.
What is the InChIKey of 3-(4-methoxy-3-phenylanilino)propane-1,2-diol?
The InChIKey is LZLMFFLWUDEWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-20-16-8-7-13(17-10-14(19)11-18)9-15(16)12-5-3-2-4-6-12/h2-9,14,17-19H,10-11H2,1H3.
What are the key properties of 3-(4-methoxy-3-phenylanilino)propane-1,2-diol?
3-(4-methoxy-3-phenylanilino)propane-1,2-diol has a molecular weight of 273.33 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-phenylanilino)propane-1,2-diol is sourced from PubChem (CID 168597528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).