(1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol

C16H18O3 — CID 103960590

IUPAC(1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1Oc1ccc(CO)cc1
InChIInChI=1S/C16H18O3/c1-2-15(18)14-5-3-4-6-16(14)19-13-9-7-12(11-17)8-10-13/h3-10,15,17-18H,2,11H2,1H3/t15-/m1/s1
InChIKeyNLHNZWDLTJPOJV-OAHLLOKOSA-N
MW258.32 g/mol
LogP3.41
Rot. Bonds5

About (1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol

(1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol (PubChem CID 103960590) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol
PubChem CID103960590
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name(1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1Oc1ccc(CO)cc1
InChIInChI=1S/C16H18O3/c1-2-15(18)14-5-3-4-6-16(14)19-13-9-7-12(11-17)8-10-13/h3-10,15,17-18H,2,11H2,1H3/t15-/m1/s1
InChIKeyNLHNZWDLTJPOJV-OAHLLOKOSA-N
XLogP3.41
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(4-ethoxyphenoxy)phenyl]propan-1-ol
CID 103960453
(1S)-1-[2-(4-iodophenoxy)phenyl]propan-1-ol
CID 113359087
4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide
CID 103960520
(1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol
CID 103960425
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501
[4-(2-methoxyphenoxy)phenyl]methanol
CID 28946116
(1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol
CID 103960549
(1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol
CID 113359072
(1S)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]propan-1-ol
CID 103960654
1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol
CID 115996062
2-fluoro-4-[2-[(1S)-1-hydroxypropyl]phenoxy]benzonitrile
CID 103960657
(1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 55185417

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol (CID 103960590) is (1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1Oc1ccc(CO)cc1.
What is the InChIKey of (1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol?
The InChIKey is NLHNZWDLTJPOJV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18O3/c1-2-15(18)14-5-3-4-6-16(14)19-13-9-7-12(11-17)8-10-13/h3-10,15,17-18H,2,11H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol?
(1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol has a molecular weight of 258.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol is sourced from PubChem (CID 103960590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).