2-chlorophenol;2-propan-2-ylphenol

C15H17ClO2 — CID 67592486

IUPAC2-chlorophenol;2-propan-2-ylphenol
SMILESCC(C)c1ccccc1O.Oc1ccccc1Cl
InChIInChI=1S/C9H12O.C6H5ClO/c1-7(2)8-5-3-4-6-9(8)10;7-5-3-1-2-4-6(5)8/h3-7,10H,1-2H3;1-4,8H
InChIKeyGTXILCIWPFXUHP-UHFFFAOYSA-N
MW264.75 g/mol
LogP4.56
Rot. Bonds1

About 2-chlorophenol;2-propan-2-ylphenol

2-chlorophenol;2-propan-2-ylphenol (PubChem CID 67592486) has the molecular formula C15H17ClO2 and a molecular weight of 264.75 g/mol. Its IUPAC name is 2-chlorophenol;2-propan-2-ylphenol.

Molecular Properties

Compound Name2-chlorophenol;2-propan-2-ylphenol
PubChem CID67592486
Molecular FormulaC15H17ClO2
Molecular Weight264.75 g/mol
Exact Mass264.09
IUPAC Name2-chlorophenol;2-propan-2-ylphenol
SMILESCC(C)c1ccccc1O.Oc1ccccc1Cl
InChIInChI=1S/C9H12O.C6H5ClO/c1-7(2)8-5-3-4-6-9(8)10;7-5-3-1-2-4-6(5)8/h3-7,10H,1-2H3;1-4,8H
InChIKeyGTXILCIWPFXUHP-UHFFFAOYSA-N
XLogP4.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

lithium;hydride;2-propan-2-ylphenol
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bis(2-propan-2-ylphenol);zirconium(2+);dichloride
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CID 162153244
bis(2-chlorophenol);tungsten
CID 88625581
2-propan-2-ylphenol;styrene
CID 161412520
1,1'-biphenyl;2-chlorophenol
CID 174555563
carbonic acid;2-chlorophenol
CID 163958261
1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene
CID 158048784
2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol
CID 122234675
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
2-chloro-6-propan-2-ylaniline
CID 18981698
2,6-dichloro-3-propan-2-ylphenol
CID 174112447

Frequently Asked Questions

What is the IUPAC name of 2-chlorophenol;2-propan-2-ylphenol?
The IUPAC name of 2-chlorophenol;2-propan-2-ylphenol (CID 67592486) is 2-chlorophenol;2-propan-2-ylphenol.
What is the SMILES notation for 2-chlorophenol;2-propan-2-ylphenol?
The canonical SMILES for 2-chlorophenol;2-propan-2-ylphenol is CC(C)c1ccccc1O.Oc1ccccc1Cl.
What is the InChIKey of 2-chlorophenol;2-propan-2-ylphenol?
The InChIKey is GTXILCIWPFXUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C6H5ClO/c1-7(2)8-5-3-4-6-9(8)10;7-5-3-1-2-4-6(5)8/h3-7,10H,1-2H3;1-4,8H.
What are the key properties of 2-chlorophenol;2-propan-2-ylphenol?
2-chlorophenol;2-propan-2-ylphenol has a molecular weight of 264.75 g/mol, XLogP of 4.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorophenol;2-propan-2-ylphenol is sourced from PubChem (CID 67592486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).