4-chloro-5-methyl-2-propan-2-ylphenol

C20H26Cl2O2 — CID 160599975

IUPAC4-chloro-5-methyl-2-propan-2-ylphenol
SMILESCc1cc(O)c(C(C)C)cc1Cl.Cc1cc(O)c(C(C)C)cc1Cl
InChIInChI=1S/2C10H13ClO/c2*1-6(2)8-5-9(11)7(3)4-10(8)12/h2*4-6,12H,1-3H3
InChIKeyREDIFBXQSYYPKO-UHFFFAOYSA-N
MW369.33 g/mol
LogP6.95
Rot. Bonds2

About 4-chloro-5-methyl-2-propan-2-ylphenol

4-chloro-5-methyl-2-propan-2-ylphenol (PubChem CID 160599975) has the molecular formula C20H26Cl2O2 and a molecular weight of 369.33 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-propan-2-ylphenol.

Molecular Properties

Compound Name4-chloro-5-methyl-2-propan-2-ylphenol
PubChem CID160599975
Molecular FormulaC20H26Cl2O2
Molecular Weight369.33 g/mol
Exact Mass368.13
IUPAC Name4-chloro-5-methyl-2-propan-2-ylphenol
SMILESCc1cc(O)c(C(C)C)cc1Cl.Cc1cc(O)c(C(C)C)cc1Cl
InChIInChI=1S/2C10H13ClO/c2*1-6(2)8-5-9(11)7(3)4-10(8)12/h2*4-6,12H,1-3H3
InChIKeyREDIFBXQSYYPKO-UHFFFAOYSA-N
XLogP6.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.33
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1-aminoethyl]-4-chloro-5-methylphenol;hydrochloride
CID 175670800
2-(2-amino-1-hydroxypropyl)-4-chloro-5-methylphenol
CID 84681407
4-chloro-5-methylbenzene-1,2-diol
CID 23510503
2-chloro-4-methyl-5-propan-2-ylphenol
CID 154092490
4-chloro-5-methyl-2-octan-2-ylphenol
CID 15788408
5-methyl-4-(methylamino)-2-propan-2-ylphenol
CID 82266002
4-(hydroxyamino)-5-methyl-2-propan-2-ylphenol
CID 51003755
5-butyl-4-chloro-2-propan-2-ylphenol
CID 118092137
4-butan-2-yl-2-chloro-5-methylphenol
CID 71372422
1,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)thiourea
CID 3757180
2-[(1S)-1-aminoethyl]-4,5-dichlorophenol
CID 96708426
N-(4-chlorophenyl)-4-hydroxy-2-methyl-5-propan-2-ylbenzenecarbothioamide
CID 135426704

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-propan-2-ylphenol?
The IUPAC name of 4-chloro-5-methyl-2-propan-2-ylphenol (CID 160599975) is 4-chloro-5-methyl-2-propan-2-ylphenol.
What is the SMILES notation for 4-chloro-5-methyl-2-propan-2-ylphenol?
The canonical SMILES for 4-chloro-5-methyl-2-propan-2-ylphenol is Cc1cc(O)c(C(C)C)cc1Cl.Cc1cc(O)c(C(C)C)cc1Cl.
What is the InChIKey of 4-chloro-5-methyl-2-propan-2-ylphenol?
The InChIKey is REDIFBXQSYYPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13ClO/c2*1-6(2)8-5-9(11)7(3)4-10(8)12/h2*4-6,12H,1-3H3.
What are the key properties of 4-chloro-5-methyl-2-propan-2-ylphenol?
4-chloro-5-methyl-2-propan-2-ylphenol has a molecular weight of 369.33 g/mol, XLogP of 6.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-propan-2-ylphenol is sourced from PubChem (CID 160599975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).