1-chloro-3,5-dimethylbenzene;phenol

C14H15ClO — CID 158089638

IUPAC1-chloro-3,5-dimethylbenzene;phenol
SMILESCc1cc(C)cc(Cl)c1.Oc1ccccc1
InChIInChI=1S/C8H9Cl.C6H6O/c1-6-3-7(2)5-8(9)4-6;7-6-4-2-1-3-5-6/h3-5H,1-2H3;1-5,7H
InChIKeyFNYBXOMXWMDPPW-UHFFFAOYSA-N
MW234.73 g/mol
LogP4.35
Rot. Bonds

About 1-chloro-3,5-dimethylbenzene;phenol

1-chloro-3,5-dimethylbenzene;phenol (PubChem CID 158089638) has the molecular formula C14H15ClO and a molecular weight of 234.73 g/mol. Its IUPAC name is 1-chloro-3,5-dimethylbenzene;phenol.

Molecular Properties

Compound Name1-chloro-3,5-dimethylbenzene;phenol
PubChem CID158089638
Molecular FormulaC14H15ClO
Molecular Weight234.73 g/mol
Exact Mass234.08
IUPAC Name1-chloro-3,5-dimethylbenzene;phenol
SMILESCc1cc(C)cc(Cl)c1.Oc1ccccc1
InChIInChI=1S/C8H9Cl.C6H6O/c1-6-3-7(2)5-8(9)4-6;7-6-4-2-1-3-5-6/h3-5H,1-2H3;1-5,7H
InChIKeyFNYBXOMXWMDPPW-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

Analyze 1-chloro-3,5-dimethylbenzene;phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dichloro-5-methylbenzene;toluene
CID 143933195
chlorobenzene;1,3,5-trimethylbenzene
CID 160520225
chlorobenzene;phenol
CID 19771485
4-chlorophenol;3,5-dimethylphenol
CID 160790221
benzene;4-chloro-3,5-dimethylphenol;phenol
CID 174934171
1-chloro-2,4-dimethylbenzene;phenol
CID 159221266
phenol;1,2,4,5-tetramethylbenzene
CID 158089853
phenol;toluene;dihydrochloride
CID 174548899
phenol;toluene;hydrate
CID 130237707
1-chloro-3-methyl-5-phenylbenzene;ethane
CID 143782366
benzene;hypochlorous acid;phenol
CID 174898371
ethane;phenol
CID 161156308

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,5-dimethylbenzene;phenol?
The IUPAC name of 1-chloro-3,5-dimethylbenzene;phenol (CID 158089638) is 1-chloro-3,5-dimethylbenzene;phenol.
What is the SMILES notation for 1-chloro-3,5-dimethylbenzene;phenol?
The canonical SMILES for 1-chloro-3,5-dimethylbenzene;phenol is Cc1cc(C)cc(Cl)c1.Oc1ccccc1.
What is the InChIKey of 1-chloro-3,5-dimethylbenzene;phenol?
The InChIKey is FNYBXOMXWMDPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl.C6H6O/c1-6-3-7(2)5-8(9)4-6;7-6-4-2-1-3-5-6/h3-5H,1-2H3;1-5,7H.
What are the key properties of 1-chloro-3,5-dimethylbenzene;phenol?
1-chloro-3,5-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-3,5-dimethylbenzene;phenol is sourced from PubChem (CID 158089638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).