3-[4-(1-phenylethenyl)anilino]propane-1,2-diol

C17H19NO2 — CID 168594472

IUPAC3-[4-(1-phenylethenyl)anilino]propane-1,2-diol
SMILESC=C(c1ccccc1)c1ccc(NCC(O)CO)cc1
InChIInChI=1S/C17H19NO2/c1-13(14-5-3-2-4-6-14)15-7-9-16(10-8-15)18-11-17(20)12-19/h2-10,17-20H,1,11-12H2
InChIKeyZSHQDDWFXBNPOG-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.51
Rot. Bonds6

About 3-[4-(1-phenylethenyl)anilino]propane-1,2-diol

3-[4-(1-phenylethenyl)anilino]propane-1,2-diol (PubChem CID 168594472) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[4-(1-phenylethenyl)anilino]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-(1-phenylethenyl)anilino]propane-1,2-diol
PubChem CID168594472
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-[4-(1-phenylethenyl)anilino]propane-1,2-diol
SMILESC=C(c1ccccc1)c1ccc(NCC(O)CO)cc1
InChIInChI=1S/C17H19NO2/c1-13(14-5-3-2-4-6-14)15-7-9-16(10-8-15)18-11-17(20)12-19/h2-10,17-20H,1,11-12H2
InChIKeyZSHQDDWFXBNPOG-UHFFFAOYSA-N
XLogP2.51
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloroanilino)propane-1,2-diol
CID 76891534
[4-(2,3-dihydroxypropylamino)phenyl]-(4-hydroxyphenyl)methanone
CID 168596127
(2S)-3-(4-phenylmethoxyanilino)propane-1,2-diol
CID 13273040
4-[4-(2,3-dihydroxypropylamino)phenoxy]benzoic acid
CID 168594183
[4-(2,3-dihydroxypropylamino)phenyl]boronic acid
CID 168597172
2-[4-(2,3-dihydroxypropylamino)phenyl]acetic acid
CID 82095820
4-(2,3-dihydroxypropylamino)-N-(2-phenoxyphenyl)benzamide
CID 168597138
1-anilino-3-chloropropan-2-ol
CID 3640254
3-(4-naphthalen-2-yloxyanilino)propane-1,2-diol
CID 168595473
propan-2-yl 4-[4-(2,3-dihydroxypropylamino)phenyl]benzoate
CID 168596264
1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol
CID 168636829
[4-(2-hydroxypropylamino)phenyl]-phenylmethanone
CID 59712632

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-phenylethenyl)anilino]propane-1,2-diol?
The IUPAC name of 3-[4-(1-phenylethenyl)anilino]propane-1,2-diol (CID 168594472) is 3-[4-(1-phenylethenyl)anilino]propane-1,2-diol.
What is the SMILES notation for 3-[4-(1-phenylethenyl)anilino]propane-1,2-diol?
The canonical SMILES for 3-[4-(1-phenylethenyl)anilino]propane-1,2-diol is C=C(c1ccccc1)c1ccc(NCC(O)CO)cc1.
What is the InChIKey of 3-[4-(1-phenylethenyl)anilino]propane-1,2-diol?
The InChIKey is ZSHQDDWFXBNPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(14-5-3-2-4-6-14)15-7-9-16(10-8-15)18-11-17(20)12-19/h2-10,17-20H,1,11-12H2.
What are the key properties of 3-[4-(1-phenylethenyl)anilino]propane-1,2-diol?
3-[4-(1-phenylethenyl)anilino]propane-1,2-diol has a molecular weight of 269.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-phenylethenyl)anilino]propane-1,2-diol is sourced from PubChem (CID 168594472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).