1-(4-chlorophenyl)ethanol;1-(4-chlorophenyl)ethanone

C16H16Cl2O2 — CID 159128933

IUPAC1-(4-chlorophenyl)ethanol;1-(4-chlorophenyl)ethanone
SMILESCC(=O)c1ccc(Cl)cc1.CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C8H9ClO.C8H7ClO/c2*1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3;2-5H,1H3
InChIKeyKGQBCZWEMAPDCJ-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.94
Rot. Bonds2

About 1-(4-chlorophenyl)ethanol;1-(4-chlorophenyl)ethanone

1-(4-chlorophenyl)ethanol;1-(4-chlorophenyl)ethanone (PubChem CID 159128933) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 1-(4-chlorophenyl)ethanol;1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)ethanol;1-(4-chlorophenyl)ethanone
PubChem CID159128933
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name1-(4-chlorophenyl)ethanol;1-(4-chlorophenyl)ethanone
SMILESCC(=O)c1ccc(Cl)cc1.CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C8H9ClO.C8H7ClO/c2*1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3;2-5H,1H3
InChIKeyKGQBCZWEMAPDCJ-UHFFFAOYSA-N
XLogP4.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063
1-[4-(dihydroxymethyl)phenyl]ethanone
CID 66714715
1-(4-chlorophenyl)-2,2-dihydroxyethanone;1-phenylethanone
CID 174917583
(3R)-3-(4-chlorophenyl)butan-2-one
CID 90139633
4-(1-hydroxyethyl)benzamide
CID 22716490
(3S)-3-(4-chlorophenyl)butan-2-one
CID 94841773
3-(4-chlorophenyl)butan-2-one
CID 21269944
acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 71336866
1-[4-(1-aminoethyl)phenyl]ethanone
CID 45086260
1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol
CID 22925659
2-(4-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
CID 60625305
1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone
CID 11255678

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)ethanol;1-(4-chlorophenyl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)ethanol;1-(4-chlorophenyl)ethanone (CID 159128933) is 1-(4-chlorophenyl)ethanol;1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)ethanol;1-(4-chlorophenyl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)ethanol;1-(4-chlorophenyl)ethanone is CC(=O)c1ccc(Cl)cc1.CC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)ethanol;1-(4-chlorophenyl)ethanone?
The InChIKey is KGQBCZWEMAPDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO.C8H7ClO/c2*1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3;2-5H,1H3.
What are the key properties of 1-(4-chlorophenyl)ethanol;1-(4-chlorophenyl)ethanone?
1-(4-chlorophenyl)ethanol;1-(4-chlorophenyl)ethanone has a molecular weight of 311.21 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)ethanol;1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 159128933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).