benzene;4-chloro-3,5-dimethylphenol;phenol

C20H21ClO2 — CID 174934171

IUPACbenzene;4-chloro-3,5-dimethylphenol;phenol
SMILESCc1cc(O)cc(C)c1Cl.Oc1ccccc1.c1ccccc1
InChIInChI=1S/C8H9ClO.C6H6O.C6H6/c1-5-3-7(10)4-6(2)8(5)9;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h3-4,10H,1-2H3;1-5,7H;1-6H
InChIKeyGOUDJLKFTMHFPO-UHFFFAOYSA-N
MW328.84 g/mol
LogP5.74
Rot. Bonds

About benzene;4-chloro-3,5-dimethylphenol;phenol

benzene;4-chloro-3,5-dimethylphenol;phenol (PubChem CID 174934171) has the molecular formula C20H21ClO2 and a molecular weight of 328.84 g/mol. Its IUPAC name is benzene;4-chloro-3,5-dimethylphenol;phenol.

Molecular Properties

Compound Namebenzene;4-chloro-3,5-dimethylphenol;phenol
PubChem CID174934171
Molecular FormulaC20H21ClO2
Molecular Weight328.84 g/mol
Exact Mass328.12
IUPAC Namebenzene;4-chloro-3,5-dimethylphenol;phenol
SMILESCc1cc(O)cc(C)c1Cl.Oc1ccccc1.c1ccccc1
InChIInChI=1S/C8H9ClO.C6H6O.C6H6/c1-5-3-7(10)4-6(2)8(5)9;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h3-4,10H,1-2H3;1-5,7H;1-6H
InChIKeyGOUDJLKFTMHFPO-UHFFFAOYSA-N
XLogP5.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.84
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze benzene;4-chloro-3,5-dimethylphenol;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

phenol;1,2,4,5-tetramethylbenzene
CID 158089853
1-chloro-3,5-dimethylbenzene;phenol
CID 158089638
1-chloro-2,4-dimethylbenzene;phenol
CID 159221266
benzene-1,3-diol;phenol
CID 23218590
1,2,3,4,5-pentachlorobenzene;phenol
CID 159935544
benzene-1,2-diol;4-chloro-3-methylphenol
CID 67381878
ethane;phenol
CID 161156308
benzene;hypochlorous acid;phenol
CID 174898371
chlorobenzene;phenol
CID 19771485
azane;hypochlorous acid;phenol
CID 159093398
CID 159904044
CID 159904044
aluminum phenol
CID 19023057

Frequently Asked Questions

What is the IUPAC name of benzene;4-chloro-3,5-dimethylphenol;phenol?
The IUPAC name of benzene;4-chloro-3,5-dimethylphenol;phenol (CID 174934171) is benzene;4-chloro-3,5-dimethylphenol;phenol.
What is the SMILES notation for benzene;4-chloro-3,5-dimethylphenol;phenol?
The canonical SMILES for benzene;4-chloro-3,5-dimethylphenol;phenol is Cc1cc(O)cc(C)c1Cl.Oc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;4-chloro-3,5-dimethylphenol;phenol?
The InChIKey is GOUDJLKFTMHFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO.C6H6O.C6H6/c1-5-3-7(10)4-6(2)8(5)9;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h3-4,10H,1-2H3;1-5,7H;1-6H.
What are the key properties of benzene;4-chloro-3,5-dimethylphenol;phenol?
benzene;4-chloro-3,5-dimethylphenol;phenol has a molecular weight of 328.84 g/mol, XLogP of 5.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;4-chloro-3,5-dimethylphenol;phenol is sourced from PubChem (CID 174934171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).