1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol

C16H18Cl2O — CID 22925659

IUPAC1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol
SMILESCC(O)c1ccc(Cl)cc1.CCc1ccc(Cl)cc1
InChIInChI=1S/C8H9ClO.C8H9Cl/c1-6(10)7-2-4-8(9)5-3-7;1-2-7-3-5-8(9)6-4-7/h2-6,10H,1H3;3-6H,2H2,1H3
InChIKeyDEAYUUINLXCRHX-UHFFFAOYSA-N
MW297.23 g/mol
LogP5.30
Rot. Bonds2

About 1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol

1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol (PubChem CID 22925659) has the molecular formula C16H18Cl2O and a molecular weight of 297.23 g/mol. Its IUPAC name is 1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol
PubChem CID22925659
Molecular FormulaC16H18Cl2O
Molecular Weight297.23 g/mol
Exact Mass296.07
IUPAC Name1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol
SMILESCC(O)c1ccc(Cl)cc1.CCc1ccc(Cl)cc1
InChIInChI=1S/C8H9ClO.C8H9Cl/c1-6(10)7-2-4-8(9)5-3-7;1-2-7-3-5-8(9)6-4-7/h2-6,10H,1H3;3-6H,2H2,1H3
InChIKeyDEAYUUINLXCRHX-UHFFFAOYSA-N
XLogP5.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.23
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(4-ethylphenyl)phenyl]ethanol
CID 139710223
(1S)-1-[4-(4-ethyl-N-methylanilino)phenyl]ethanol
CID 78940853
1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol
CID 61415039
1-chloro-4-[2-chloro-2-(4-ethylphenyl)ethyl]benzene
CID 55197752
1-[4-(chloromethyl)phenyl]ethanol
CID 12600511
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
(3,5-dichlorophenyl)-(4-ethylphenyl)methanol
CID 61087745
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091
1,3-bis(4-chlorophenyl)propane-1,3-diol;bis(4-ethylbenzoic acid)
CID 66728211
1-[3-bromo-4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol
CID 114792436

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol?
The IUPAC name of 1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol (CID 22925659) is 1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol.
What is the SMILES notation for 1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol?
The canonical SMILES for 1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol is CC(O)c1ccc(Cl)cc1.CCc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol?
The InChIKey is DEAYUUINLXCRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO.C8H9Cl/c1-6(10)7-2-4-8(9)5-3-7;1-2-7-3-5-8(9)6-4-7/h2-6,10H,1H3;3-6H,2H2,1H3.
What are the key properties of 1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol?
1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol has a molecular weight of 297.23 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-ethylbenzene;1-(4-chlorophenyl)ethanol is sourced from PubChem (CID 22925659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).