1-(4-phenoxyphenyl)ethanol;hydrochloride

C14H15ClO2 — CID 67663526

IUPAC1-(4-phenoxyphenyl)ethanol;hydrochloride
SMILESCC(O)c1ccc(Oc2ccccc2)cc1.Cl
InChIInChI=1S/C14H14O2.ClH/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13;/h2-11,15H,1H3;1H
InChIKeyDLPSPZLEJBOPDQ-UHFFFAOYSA-N
MW250.72 g/mol
LogP3.95
Rot. Bonds3

About 1-(4-phenoxyphenyl)ethanol;hydrochloride

1-(4-phenoxyphenyl)ethanol;hydrochloride (PubChem CID 67663526) has the molecular formula C14H15ClO2 and a molecular weight of 250.72 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)ethanol;hydrochloride
PubChem CID67663526
Molecular FormulaC14H15ClO2
Molecular Weight250.72 g/mol
Exact Mass250.08
IUPAC Name1-(4-phenoxyphenyl)ethanol;hydrochloride
SMILESCC(O)c1ccc(Oc2ccccc2)cc1.Cl
InChIInChI=1S/C14H14O2.ClH/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13;/h2-11,15H,1H3;1H
InChIKeyDLPSPZLEJBOPDQ-UHFFFAOYSA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.72
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-(4-methoxyphenoxy)phenyl]ethanol
CID 63372514
(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 78930795
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924
1-(3-phenoxyphenyl)ethanol
CID 12882419
(1R,2S)-1-amino-3-methyl-1-(4-phenoxyphenyl)butan-2-ol;hydrochloride
CID 171263705
1-[4-(3-methoxyphenoxy)phenyl]ethanol
CID 43506404
(1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol
CID 122372141
1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene
CID 21117107
1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950
(1S)-1-phenylethanol
CID 157125626
(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanol
CID 78941782
2-(4-phenoxyphenyl)propanoic acid
CID 527817

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)ethanol;hydrochloride?
The IUPAC name of 1-(4-phenoxyphenyl)ethanol;hydrochloride (CID 67663526) is 1-(4-phenoxyphenyl)ethanol;hydrochloride.
What is the SMILES notation for 1-(4-phenoxyphenyl)ethanol;hydrochloride?
The canonical SMILES for 1-(4-phenoxyphenyl)ethanol;hydrochloride is CC(O)c1ccc(Oc2ccccc2)cc1.Cl.
What is the InChIKey of 1-(4-phenoxyphenyl)ethanol;hydrochloride?
The InChIKey is DLPSPZLEJBOPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2.ClH/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13;/h2-11,15H,1H3;1H.
What are the key properties of 1-(4-phenoxyphenyl)ethanol;hydrochloride?
1-(4-phenoxyphenyl)ethanol;hydrochloride has a molecular weight of 250.72 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)ethanol;hydrochloride is sourced from PubChem (CID 67663526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).