3-(3-chloro-4-naphthalen-2-yloxyanilino)propane-1,2-diol

C19H18ClNO3 — CID 168596365

IUPAC3-(3-chloro-4-naphthalen-2-yloxyanilino)propane-1,2-diol
SMILESOCC(O)CNc1ccc(Oc2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C19H18ClNO3/c20-18-10-15(21-11-16(23)12-22)6-8-19(18)24-17-7-5-13-3-1-2-4-14(13)9-17/h1-10,16,21-23H,11-12H2
InChIKeyMOIKOGGYSVJLOT-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.05
Rot. Bonds6

About 3-(3-chloro-4-naphthalen-2-yloxyanilino)propane-1,2-diol

3-(3-chloro-4-naphthalen-2-yloxyanilino)propane-1,2-diol (PubChem CID 168596365) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is 3-(3-chloro-4-naphthalen-2-yloxyanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(3-chloro-4-naphthalen-2-yloxyanilino)propane-1,2-diol
PubChem CID168596365
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name3-(3-chloro-4-naphthalen-2-yloxyanilino)propane-1,2-diol
SMILESOCC(O)CNc1ccc(Oc2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C19H18ClNO3/c20-18-10-15(21-11-16(23)12-22)6-8-19(18)24-17-7-5-13-3-1-2-4-14(13)9-17/h1-10,16,21-23H,11-12H2
InChIKeyMOIKOGGYSVJLOT-UHFFFAOYSA-N
XLogP4.05
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-naphthalen-2-yloxyanilino)propane-1,2-diol
CID 168595473
3-[3-chloro-4-(3,4-dimethylphenoxy)anilino]propane-1,2-diol
CID 168596712
3-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)anilino]propane-1,2-diol
CID 168596937
3-(3-bromo-4-chloroanilino)propane-1,2-diol
CID 82850538
3-(4-methoxy-3-phenylanilino)propane-1,2-diol
CID 168597528
1-chloro-3-[3-chloro-4-(2,4-dimethylphenoxy)anilino]propan-2-ol
CID 168639426
3-chloro-4-naphthalen-2-yloxybenzenecarbothioamide
CID 63519460
1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine
CID 63532726
5-(2,3-dihydroxypropylamino)-2-naphthalen-2-ylisoindole-1,3-dione
CID 168595106
4-[4-(2,3-dihydroxypropylamino)phenoxy]benzene-1,2-dicarbonitrile
CID 168594427
3-(4-chloroanilino)propane-1,2-diol
CID 76891534
(2S)-3-(4-phenylmethoxyanilino)propane-1,2-diol
CID 13273040

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-naphthalen-2-yloxyanilino)propane-1,2-diol?
The IUPAC name of 3-(3-chloro-4-naphthalen-2-yloxyanilino)propane-1,2-diol (CID 168596365) is 3-(3-chloro-4-naphthalen-2-yloxyanilino)propane-1,2-diol.
What is the SMILES notation for 3-(3-chloro-4-naphthalen-2-yloxyanilino)propane-1,2-diol?
The canonical SMILES for 3-(3-chloro-4-naphthalen-2-yloxyanilino)propane-1,2-diol is OCC(O)CNc1ccc(Oc2ccc3ccccc3c2)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-naphthalen-2-yloxyanilino)propane-1,2-diol?
The InChIKey is MOIKOGGYSVJLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c20-18-10-15(21-11-16(23)12-22)6-8-19(18)24-17-7-5-13-3-1-2-4-14(13)9-17/h1-10,16,21-23H,11-12H2.
What are the key properties of 3-(3-chloro-4-naphthalen-2-yloxyanilino)propane-1,2-diol?
3-(3-chloro-4-naphthalen-2-yloxyanilino)propane-1,2-diol has a molecular weight of 343.81 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-naphthalen-2-yloxyanilino)propane-1,2-diol is sourced from PubChem (CID 168596365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).