1-chloro-2,4-dimethylbenzene;phenol

C14H15ClO — CID 159221266

IUPAC1-chloro-2,4-dimethylbenzene;phenol
SMILESCc1ccc(Cl)c(C)c1.Oc1ccccc1
InChIInChI=1S/C8H9Cl.C6H6O/c1-6-3-4-8(9)7(2)5-6;7-6-4-2-1-3-5-6/h3-5H,1-2H3;1-5,7H
InChIKeyKRSFTRFPIZFGHH-UHFFFAOYSA-N
MW234.73 g/mol
LogP4.35
Rot. Bonds

About 1-chloro-2,4-dimethylbenzene;phenol

1-chloro-2,4-dimethylbenzene;phenol (PubChem CID 159221266) has the molecular formula C14H15ClO and a molecular weight of 234.73 g/mol. Its IUPAC name is 1-chloro-2,4-dimethylbenzene;phenol.

Molecular Properties

Compound Name1-chloro-2,4-dimethylbenzene;phenol
PubChem CID159221266
Molecular FormulaC14H15ClO
Molecular Weight234.73 g/mol
Exact Mass234.08
IUPAC Name1-chloro-2,4-dimethylbenzene;phenol
SMILESCc1ccc(Cl)c(C)c1.Oc1ccccc1
InChIInChI=1S/C8H9Cl.C6H6O/c1-6-3-4-8(9)7(2)5-6;7-6-4-2-1-3-5-6/h3-5H,1-2H3;1-5,7H
InChIKeyKRSFTRFPIZFGHH-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,4-dimethylbenzene;phenol?
The IUPAC name of 1-chloro-2,4-dimethylbenzene;phenol (CID 159221266) is 1-chloro-2,4-dimethylbenzene;phenol.
What is the SMILES notation for 1-chloro-2,4-dimethylbenzene;phenol?
The canonical SMILES for 1-chloro-2,4-dimethylbenzene;phenol is Cc1ccc(Cl)c(C)c1.Oc1ccccc1.
What is the InChIKey of 1-chloro-2,4-dimethylbenzene;phenol?
The InChIKey is KRSFTRFPIZFGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl.C6H6O/c1-6-3-4-8(9)7(2)5-6;7-6-4-2-1-3-5-6/h3-5H,1-2H3;1-5,7H.
What are the key properties of 1-chloro-2,4-dimethylbenzene;phenol?
1-chloro-2,4-dimethylbenzene;phenol has a molecular weight of 234.73 g/mol, XLogP of 4.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,4-dimethylbenzene;phenol is sourced from PubChem (CID 159221266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).