2-chloro-5-propan-2-ylphenol

C9H11ClO — CID 59596487

IUPAC2-chloro-5-propan-2-ylphenol
SMILESCC(C)c1ccc(Cl)c(O)c1
InChIInChI=1S/C9H11ClO/c1-6(2)7-3-4-8(10)9(11)5-7/h3-6,11H,1-2H3
InChIKeyQUTROBFCLJOSIP-UHFFFAOYSA-N
MW170.64 g/mol
LogP3.17
Rot. Bonds1

About 2-chloro-5-propan-2-ylphenol

2-chloro-5-propan-2-ylphenol (PubChem CID 59596487) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is 2-chloro-5-propan-2-ylphenol.

Molecular Properties

Compound Name2-chloro-5-propan-2-ylphenol
PubChem CID59596487
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name2-chloro-5-propan-2-ylphenol
SMILESCC(C)c1ccc(Cl)c(O)c1
InChIInChI=1S/C9H11ClO/c1-6(2)7-3-4-8(10)9(11)5-7/h3-6,11H,1-2H3
InChIKeyQUTROBFCLJOSIP-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-propan-2-yl-2-(1-sulfanylethyl)phenol
CID 135213072
1-(2-chloro-5-propan-2-ylphenyl)ethanone
CID 83988508
2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol
CID 121300355
2-[bis(2-hydroxy-5-propan-2-ylphenyl)methyl]-4-propan-2-ylphenol
CID 178165672
2,4-di(propan-2-yl)phenol
CID 18048
2-tert-butyl-1-chloro-4-propan-2-ylbenzene
CID 59135167
2-ethyl-5-propan-2-ylphenol
CID 45096246
1-chloro-2-nitroso-4-propan-2-ylbenzene
CID 118242296
1-bromo-2-chloro-4-propan-2-ylbenzene
CID 20739733
4-chlorobenzene-1,3-diol
CID 1731
methane;4-propan-2-ylphenol
CID 159328733
2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol
CID 117284776

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-ylphenol?
The IUPAC name of 2-chloro-5-propan-2-ylphenol (CID 59596487) is 2-chloro-5-propan-2-ylphenol.
What is the SMILES notation for 2-chloro-5-propan-2-ylphenol?
The canonical SMILES for 2-chloro-5-propan-2-ylphenol is CC(C)c1ccc(Cl)c(O)c1.
What is the InChIKey of 2-chloro-5-propan-2-ylphenol?
The InChIKey is QUTROBFCLJOSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO/c1-6(2)7-3-4-8(10)9(11)5-7/h3-6,11H,1-2H3.
What are the key properties of 2-chloro-5-propan-2-ylphenol?
2-chloro-5-propan-2-ylphenol has a molecular weight of 170.64 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-ylphenol is sourced from PubChem (CID 59596487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).