(1S)-1-[3-chloro-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanol

C15H15ClO3 — CID 55182879

IUPAC(1S)-1-[3-chloro-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanol
SMILESC[C@H](O)c1ccc(Oc2cccc(CO)c2)c(Cl)c1
InChIInChI=1S/C15H15ClO3/c1-10(18)12-5-6-15(14(16)8-12)19-13-4-2-3-11(7-13)9-17/h2-8,10,17-18H,9H2,1H3/t10-/m0/s1
InChIKeyKLXGTUBAXAVNHR-JTQLQIEISA-N
MW278.74 g/mol
LogP3.68
Rot. Bonds4

About (1S)-1-[3-chloro-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanol

(1S)-1-[3-chloro-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanol (PubChem CID 55182879) has the molecular formula C15H15ClO3 and a molecular weight of 278.74 g/mol. Its IUPAC name is (1S)-1-[3-chloro-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-chloro-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanol
PubChem CID55182879
Molecular FormulaC15H15ClO3
Molecular Weight278.74 g/mol
Exact Mass278.07
IUPAC Name(1S)-1-[3-chloro-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanol
SMILESC[C@H](O)c1ccc(Oc2cccc(CO)c2)c(Cl)c1
InChIInChI=1S/C15H15ClO3/c1-10(18)12-5-6-15(14(16)8-12)19-13-4-2-3-11(7-13)9-17/h2-8,10,17-18H,9H2,1H3/t10-/m0/s1
InChIKeyKLXGTUBAXAVNHR-JTQLQIEISA-N
XLogP3.68
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 63374564
1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 55133247
(1S)-1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 78941603
1-[3-chloro-4-(3-ethoxyphenoxy)phenyl]ethanol
CID 62911183
[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol
CID 13090688
(1S)-1-[3-chloro-4-(3,5-dimethylphenoxy)phenyl]ethanol
CID 55183054
(1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78952850
(1S)-1-[4-(3-ethylphenoxy)-3-fluorophenyl]ethanol
CID 78941434
(1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol
CID 78941541
[3-chloro-4-[3-(dimethylamino)phenoxy]phenyl]methanol
CID 81152356
1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol
CID 62912366
(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
CID 63374748

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-chloro-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[3-chloro-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanol (CID 55182879) is (1S)-1-[3-chloro-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-chloro-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-chloro-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanol is C[C@H](O)c1ccc(Oc2cccc(CO)c2)c(Cl)c1.
What is the InChIKey of (1S)-1-[3-chloro-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanol?
The InChIKey is KLXGTUBAXAVNHR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15ClO3/c1-10(18)12-5-6-15(14(16)8-12)19-13-4-2-3-11(7-13)9-17/h2-8,10,17-18H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[3-chloro-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanol?
(1S)-1-[3-chloro-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanol has a molecular weight of 278.74 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-chloro-4-[3-(hydroxymethyl)phenoxy]phenyl]ethanol is sourced from PubChem (CID 55182879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).