4-chloro-2-[(1-hydroxycyclopropyl)methyl]-5-propan-2-ylphenol

C13H17ClO2 — CID 117354218

IUPAC4-chloro-2-[(1-hydroxycyclopropyl)methyl]-5-propan-2-ylphenol
SMILESCC(C)c1cc(O)c(CC2(O)CC2)cc1Cl
InChIInChI=1S/C13H17ClO2/c1-8(2)10-6-12(15)9(5-11(10)14)7-13(16)3-4-13/h5-6,8,15-16H,3-4,7H2,1-2H3
InChIKeyZFZODRCUXMDUHM-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.24
Rot. Bonds3

About 4-chloro-2-[(1-hydroxycyclopropyl)methyl]-5-propan-2-ylphenol

4-chloro-2-[(1-hydroxycyclopropyl)methyl]-5-propan-2-ylphenol (PubChem CID 117354218) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-chloro-2-[(1-hydroxycyclopropyl)methyl]-5-propan-2-ylphenol.

Molecular Properties

Compound Name4-chloro-2-[(1-hydroxycyclopropyl)methyl]-5-propan-2-ylphenol
PubChem CID117354218
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name4-chloro-2-[(1-hydroxycyclopropyl)methyl]-5-propan-2-ylphenol
SMILESCC(C)c1cc(O)c(CC2(O)CC2)cc1Cl
InChIInChI=1S/C13H17ClO2/c1-8(2)10-6-12(15)9(5-11(10)14)7-13(16)3-4-13/h5-6,8,15-16H,3-4,7H2,1-2H3
InChIKeyZFZODRCUXMDUHM-UHFFFAOYSA-N
XLogP3.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117322636
2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol
CID 117328035
1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117379471
4-chloro-2-(piperidin-2-ylmethyl)-5-propan-2-ylphenol
CID 117423339
6-chloro-3-[(1-hydroxycyclopropyl)methyl]naphthalen-2-ol
CID 117374951
2-[1-(aminomethyl)cyclohexyl]-4-chloro-5-propan-2-ylphenol
CID 117452768
6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
CID 117297255
1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117354215
2,4-dihydroxy-5-[(1-hydroxycyclopropyl)methyl]benzoic acid
CID 117321380
2-fluoro-3-[(1-hydroxycyclopropyl)methyl]-5-methylphenol
CID 117286145
4-chloro-2-fluoro-6-[(1-hydroxycyclopropyl)methyl]phenol
CID 117308613
2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol
CID 117302399

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(1-hydroxycyclopropyl)methyl]-5-propan-2-ylphenol?
The IUPAC name of 4-chloro-2-[(1-hydroxycyclopropyl)methyl]-5-propan-2-ylphenol (CID 117354218) is 4-chloro-2-[(1-hydroxycyclopropyl)methyl]-5-propan-2-ylphenol.
What is the SMILES notation for 4-chloro-2-[(1-hydroxycyclopropyl)methyl]-5-propan-2-ylphenol?
The canonical SMILES for 4-chloro-2-[(1-hydroxycyclopropyl)methyl]-5-propan-2-ylphenol is CC(C)c1cc(O)c(CC2(O)CC2)cc1Cl.
What is the InChIKey of 4-chloro-2-[(1-hydroxycyclopropyl)methyl]-5-propan-2-ylphenol?
The InChIKey is ZFZODRCUXMDUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-8(2)10-6-12(15)9(5-11(10)14)7-13(16)3-4-13/h5-6,8,15-16H,3-4,7H2,1-2H3.
What are the key properties of 4-chloro-2-[(1-hydroxycyclopropyl)methyl]-5-propan-2-ylphenol?
4-chloro-2-[(1-hydroxycyclopropyl)methyl]-5-propan-2-ylphenol has a molecular weight of 240.73 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(1-hydroxycyclopropyl)methyl]-5-propan-2-ylphenol is sourced from PubChem (CID 117354218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).