4-(3-chlorophenyl)-2,6-di(propan-2-yl)phenol

C18H21ClO — CID 58077898

IUPAC4-(3-chlorophenyl)-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(-c2cccc(Cl)c2)cc(C(C)C)c1O
InChIInChI=1S/C18H21ClO/c1-11(2)16-9-14(10-17(12(3)4)18(16)20)13-6-5-7-15(19)8-13/h5-12,20H,1-4H3
InChIKeyVVRWSQFUFPWOAG-UHFFFAOYSA-N
MW288.82 g/mol
LogP5.96
Rot. Bonds3

About 4-(3-chlorophenyl)-2,6-di(propan-2-yl)phenol

4-(3-chlorophenyl)-2,6-di(propan-2-yl)phenol (PubChem CID 58077898) has the molecular formula C18H21ClO and a molecular weight of 288.82 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2,6-di(propan-2-yl)phenol
PubChem CID58077898
Molecular FormulaC18H21ClO
Molecular Weight288.82 g/mol
Exact Mass288.13
IUPAC Name4-(3-chlorophenyl)-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(-c2cccc(Cl)c2)cc(C(C)C)c1O
InChIInChI=1S/C18H21ClO/c1-11(2)16-9-14(10-17(12(3)4)18(16)20)13-6-5-7-15(19)8-13/h5-12,20H,1-4H3
InChIKeyVVRWSQFUFPWOAG-UHFFFAOYSA-N
XLogP5.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.82
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-phenyl-6-propan-2-ylphenol
CID 146604618
3-(3-chlorophenyl)phenol;ethane
CID 142088616
4-(3,5-dimethylphenyl)-2,6-di(propan-2-yl)phenol
CID 102112540
4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol
CID 58077888
2,6-di(propan-2-yl)phenol;silver
CID 174803720
1-[4-(3-chlorophenyl)phenyl]ethanamine
CID 43826632
bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride
CID 87638377
2-chloro-6-propan-2-ylbenzene-1,4-diol
CID 170276425
1-[3-bromo-5-(3-chlorophenyl)phenyl]ethanamine
CID 171791268
dimethylalumane;tris(2,6-di(propan-2-yl)phenol)
CID 173121880
1-[3-(3-chlorophenyl)phenyl]ethanone
CID 4304570
5-(3-chlorophenyl)-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 79441182

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2,6-di(propan-2-yl)phenol?
The IUPAC name of 4-(3-chlorophenyl)-2,6-di(propan-2-yl)phenol (CID 58077898) is 4-(3-chlorophenyl)-2,6-di(propan-2-yl)phenol.
What is the SMILES notation for 4-(3-chlorophenyl)-2,6-di(propan-2-yl)phenol?
The canonical SMILES for 4-(3-chlorophenyl)-2,6-di(propan-2-yl)phenol is CC(C)c1cc(-c2cccc(Cl)c2)cc(C(C)C)c1O.
What is the InChIKey of 4-(3-chlorophenyl)-2,6-di(propan-2-yl)phenol?
The InChIKey is VVRWSQFUFPWOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO/c1-11(2)16-9-14(10-17(12(3)4)18(16)20)13-6-5-7-15(19)8-13/h5-12,20H,1-4H3.
What are the key properties of 4-(3-chlorophenyl)-2,6-di(propan-2-yl)phenol?
4-(3-chlorophenyl)-2,6-di(propan-2-yl)phenol has a molecular weight of 288.82 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2,6-di(propan-2-yl)phenol is sourced from PubChem (CID 58077898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).