3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene

C15H19NO2 — CID 70466970

IUPAC3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene
SMILESC[C@H](N)[C@H](O)c1cccc(O)c1.c1ccccc1
InChIInChI=1S/C9H13NO2.C6H6/c1-6(10)9(12)7-3-2-4-8(11)5-7;1-2-4-6-5-3-1/h2-6,9,11-12H,10H2,1H3;1-6H/t6-,9-;/m0./s1
InChIKeyZWXXPWYGHOBZPU-YDYUUSCQSA-N
MW245.32 g/mol
LogP2.46
Rot. Bonds2

About 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene

3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene (PubChem CID 70466970) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene.

Molecular Properties

Compound Name3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene
PubChem CID70466970
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene
SMILESC[C@H](N)[C@H](O)c1cccc(O)c1.c1ccccc1
InChIInChI=1S/C9H13NO2.C6H6/c1-6(10)9(12)7-3-2-4-8(11)5-7;1-2-4-6-5-3-1/h2-6,9,11-12H,10H2,1H3;1-6H/t6-,9-;/m0./s1
InChIKeyZWXXPWYGHOBZPU-YDYUUSCQSA-N
XLogP2.46
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S)-2-amino-1-hydroxypropyl]phenol
CID 70582339
3-[(2S)-2-amino-1-hydroxypropyl]phenol
CID 102328188
3-[(1S,2S)-1,2-diaminopropyl]phenol
CID 130820529
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride
CID 171245723
2,3-dihydroxy-3-(3-hydroxyphenyl)propanenitrile
CID 171869668
3-[(1S,2S)-1-hydroxy-2-nitropropyl]phenol
CID 131629270
3-[(1R)-1-amino-3-methylbutyl]phenol
CID 130824054
(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 61153949
3-[2-amino-4-(dimethylamino)-1-hydroxybutyl]phenol
CID 83930273

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene?
The IUPAC name of 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene (CID 70466970) is 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene.
What is the SMILES notation for 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene?
The canonical SMILES for 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene is C[C@H](N)[C@H](O)c1cccc(O)c1.c1ccccc1.
What is the InChIKey of 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene?
The InChIKey is ZWXXPWYGHOBZPU-YDYUUSCQSA-N. The full InChI is InChI=1S/C9H13NO2.C6H6/c1-6(10)9(12)7-3-2-4-8(11)5-7;1-2-4-6-5-3-1/h2-6,9,11-12H,10H2,1H3;1-6H/t6-,9-;/m0./s1.
What are the key properties of 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene?
3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene has a molecular weight of 245.32 g/mol, XLogP of 2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene is sourced from PubChem (CID 70466970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).