2-[(1R)-3-hydroxy-1-phenylpropoxy]phenol

C15H16O3 — CID 25139963

IUPAC2-[(1R)-3-hydroxy-1-phenylpropoxy]phenol
SMILESOCC[C@@H](Oc1ccccc1O)c1ccccc1
InChIInChI=1S/C15H16O3/c16-11-10-14(12-6-2-1-3-7-12)18-15-9-5-4-8-13(15)17/h1-9,14,16-17H,10-11H2/t14-/m1/s1
InChIKeyFJMUGQWYHUCASP-CQSZACIVSA-N
MW244.29 g/mol
LogP2.89
Rot. Bonds5

About 2-[(1R)-3-hydroxy-1-phenylpropoxy]phenol

2-[(1R)-3-hydroxy-1-phenylpropoxy]phenol (PubChem CID 25139963) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[(1R)-3-hydroxy-1-phenylpropoxy]phenol.

Molecular Properties

Compound Name2-[(1R)-3-hydroxy-1-phenylpropoxy]phenol
PubChem CID25139963
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name2-[(1R)-3-hydroxy-1-phenylpropoxy]phenol
SMILESOCC[C@@H](Oc1ccccc1O)c1ccccc1
InChIInChI=1S/C15H16O3/c16-11-10-14(12-6-2-1-3-7-12)18-15-9-5-4-8-13(15)17/h1-9,14,16-17H,10-11H2/t14-/m1/s1
InChIKeyFJMUGQWYHUCASP-CQSZACIVSA-N
XLogP2.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-phenylpentoxy)phenol
CID 67179241
2-(6-hydroxyhexan-2-yloxy)phenol
CID 175541429
1-(3-chloro-1-phenylpropoxy)-2-methylbenzene
CID 14054163
1-[(1R)-3-hydroxy-1-phenylpropoxy]cyclopentan-1-ol
CID 148947994
[3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid
CID 138687817
2-(4-methyl-1-phenylpentoxy)aniline
CID 139610143
1-phenylpropane-1,3-diol
CID 572059
ethane;(3R)-3-[2-methyl-3,5-bis(phenylmethoxy)phenoxy]-3-(4-phenylmethoxyphenyl)propan-1-ol
CID 143539382
1-(3-chloro-1-phenylpropoxy)-2-(trifluoromethyl)benzene
CID 14519553
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
1-phenylpropane-1,3-diol;hydrobromide
CID 68975268
[1-phenoxy-3-(3-phenoxy-3-phenylpropoxy)propyl]benzene
CID 70632407

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-3-hydroxy-1-phenylpropoxy]phenol?
The IUPAC name of 2-[(1R)-3-hydroxy-1-phenylpropoxy]phenol (CID 25139963) is 2-[(1R)-3-hydroxy-1-phenylpropoxy]phenol.
What is the SMILES notation for 2-[(1R)-3-hydroxy-1-phenylpropoxy]phenol?
The canonical SMILES for 2-[(1R)-3-hydroxy-1-phenylpropoxy]phenol is OCC[C@@H](Oc1ccccc1O)c1ccccc1.
What is the InChIKey of 2-[(1R)-3-hydroxy-1-phenylpropoxy]phenol?
The InChIKey is FJMUGQWYHUCASP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16O3/c16-11-10-14(12-6-2-1-3-7-12)18-15-9-5-4-8-13(15)17/h1-9,14,16-17H,10-11H2/t14-/m1/s1.
What are the key properties of 2-[(1R)-3-hydroxy-1-phenylpropoxy]phenol?
2-[(1R)-3-hydroxy-1-phenylpropoxy]phenol has a molecular weight of 244.29 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3-hydroxy-1-phenylpropoxy]phenol is sourced from PubChem (CID 25139963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).