1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride

C16H16Cl2O2 — CID 172689166

IUPAC1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
SMILESCC(=O)Cc1cc(Cl)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C16H15ClO2.ClH/c1-12(18)9-14-10-15(17)7-8-16(14)19-11-13-5-3-2-4-6-13;/h2-8,10H,9,11H2,1H3;1H
InChIKeyBLBCRYILDBMUPL-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.47
Rot. Bonds5

About 1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride

1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride (PubChem CID 172689166) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride.

Molecular Properties

Compound Name1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
PubChem CID172689166
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
SMILESCC(=O)Cc1cc(Cl)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C16H15ClO2.ClH/c1-12(18)9-14-10-15(17)7-8-16(14)19-11-13-5-3-2-4-6-13;/h2-8,10H,9,11H2,1H3;1H
InChIKeyBLBCRYILDBMUPL-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 143249325
1-(2-benzyl-4-chlorophenoxy)propan-2-one
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1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
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2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
CID 139026989
3-chloro-N-[(5-chloro-2-phenylmethoxyphenyl)methyl]benzamide
CID 23019932
6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 140535401
2-[5-chloro-2-(3-phenylpropoxy)phenyl]acetic acid
CID 10638258
N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 59786385
5-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-3-carboxylic acid
CID 11646506
5-chloro-N,N-diethyl-2-phenylmethoxybenzamide
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N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]formamide
CID 174489903

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride?
The IUPAC name of 1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride (CID 172689166) is 1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride.
What is the SMILES notation for 1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride?
The canonical SMILES for 1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride is CC(=O)Cc1cc(Cl)ccc1OCc1ccccc1.Cl.
What is the InChIKey of 1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride?
The InChIKey is BLBCRYILDBMUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2.ClH/c1-12(18)9-14-10-15(17)7-8-16(14)19-11-13-5-3-2-4-6-13;/h2-8,10H,9,11H2,1H3;1H.
What are the key properties of 1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride?
1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride has a molecular weight of 311.21 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride is sourced from PubChem (CID 172689166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).