5-chloro-2-[(1-hydroxycyclopropyl)methyl]-3,6-dimethylphenol

C12H15ClO2 — CID 117326090

IUPAC5-chloro-2-[(1-hydroxycyclopropyl)methyl]-3,6-dimethylphenol
SMILESCc1cc(Cl)c(C)c(O)c1CC1(O)CC1
InChIInChI=1S/C12H15ClO2/c1-7-5-10(13)8(2)11(14)9(7)6-12(15)3-4-12/h5,14-15H,3-4,6H2,1-2H3
InChIKeyAFMLFENOVDFLSL-UHFFFAOYSA-N
MW226.70 g/mol
LogP2.73
Rot. Bonds2

About 5-chloro-2-[(1-hydroxycyclopropyl)methyl]-3,6-dimethylphenol

5-chloro-2-[(1-hydroxycyclopropyl)methyl]-3,6-dimethylphenol (PubChem CID 117326090) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 5-chloro-2-[(1-hydroxycyclopropyl)methyl]-3,6-dimethylphenol.

Molecular Properties

Compound Name5-chloro-2-[(1-hydroxycyclopropyl)methyl]-3,6-dimethylphenol
PubChem CID117326090
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name5-chloro-2-[(1-hydroxycyclopropyl)methyl]-3,6-dimethylphenol
SMILESCc1cc(Cl)c(C)c(O)c1CC1(O)CC1
InChIInChI=1S/C12H15ClO2/c1-7-5-10(13)8(2)11(14)9(7)6-12(15)3-4-12/h5,14-15H,3-4,6H2,1-2H3
InChIKeyAFMLFENOVDFLSL-UHFFFAOYSA-N
XLogP2.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol
CID 117358714
1-[(5-chloro-2-methoxy-3,6-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117354228
4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol
CID 117341308
1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117354215
1-[(2-chloro-3-fluoro-6-methylphenyl)methyl]cyclopropan-1-ol
CID 117305950
4-bromo-2-[(1-hydroxycyclopropyl)methyl]-3-methyl-6-propan-2-ylphenol
CID 117481982
1-(4-chloro-2-hydroxy-3,6-dimethylphenyl)ethanone
CID 82607397
1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117459099
6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol
CID 117318324
1-methyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol
CID 62550581
1-[(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]cyclopropan-1-ol
CID 117420830
1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol
CID 117305949

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1-hydroxycyclopropyl)methyl]-3,6-dimethylphenol?
The IUPAC name of 5-chloro-2-[(1-hydroxycyclopropyl)methyl]-3,6-dimethylphenol (CID 117326090) is 5-chloro-2-[(1-hydroxycyclopropyl)methyl]-3,6-dimethylphenol.
What is the SMILES notation for 5-chloro-2-[(1-hydroxycyclopropyl)methyl]-3,6-dimethylphenol?
The canonical SMILES for 5-chloro-2-[(1-hydroxycyclopropyl)methyl]-3,6-dimethylphenol is Cc1cc(Cl)c(C)c(O)c1CC1(O)CC1.
What is the InChIKey of 5-chloro-2-[(1-hydroxycyclopropyl)methyl]-3,6-dimethylphenol?
The InChIKey is AFMLFENOVDFLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-7-5-10(13)8(2)11(14)9(7)6-12(15)3-4-12/h5,14-15H,3-4,6H2,1-2H3.
What are the key properties of 5-chloro-2-[(1-hydroxycyclopropyl)methyl]-3,6-dimethylphenol?
5-chloro-2-[(1-hydroxycyclopropyl)methyl]-3,6-dimethylphenol has a molecular weight of 226.70 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1-hydroxycyclopropyl)methyl]-3,6-dimethylphenol is sourced from PubChem (CID 117326090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).