5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol

C12H15ClO3 — CID 117358714

IUPAC5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol
SMILESCOc1c(Cl)cc(C)c(CC2(O)CC2)c1O
InChIInChI=1S/C12H15ClO3/c1-7-5-9(13)11(16-2)10(14)8(7)6-12(15)3-4-12/h5,14-15H,3-4,6H2,1-2H3
InChIKeyLNMXXVOYBZNUEZ-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.43
Rot. Bonds3

About 5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol

5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol (PubChem CID 117358714) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol.

Molecular Properties

Compound Name5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol
PubChem CID117358714
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol
SMILESCOc1c(Cl)cc(C)c(CC2(O)CC2)c1O
InChIInChI=1S/C12H15ClO3/c1-7-5-9(13)11(16-2)10(14)8(7)6-12(15)3-4-12/h5,14-15H,3-4,6H2,1-2H3
InChIKeyLNMXXVOYBZNUEZ-UHFFFAOYSA-N
XLogP2.43
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[(1-hydroxycyclopropyl)methyl]-3,6-dimethylphenol
CID 117326090
1-[(5-chloro-2-methoxy-3,6-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117354228
1-[(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]cyclopropan-1-ol
CID 117420830
1-[(3-bromo-2-methoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117459099
1-[(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol
CID 117450858
2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol
CID 117335463
6-[(1-hydroxycyclopropyl)methyl]-2-methoxy-3,4-dimethylphenol
CID 117318324
1-[(5-chloro-3-methoxy-2,4-dimethylphenyl)methyl]cyclopropan-1-ol
CID 117354215
3-(4-chloro-2-hydroxy-3-methoxy-6-methylphenyl)-2-methylpropanoic acid
CID 117400516
1-[(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol
CID 117429804
2-amino-3-(4-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propanoic acid
CID 117403269
2-bromo-5-chloro-6-methoxy-3-methylphenol
CID 84707480

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol?
The IUPAC name of 5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol (CID 117358714) is 5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol.
What is the SMILES notation for 5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol?
The canonical SMILES for 5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol is COc1c(Cl)cc(C)c(CC2(O)CC2)c1O.
What is the InChIKey of 5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol?
The InChIKey is LNMXXVOYBZNUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-7-5-9(13)11(16-2)10(14)8(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]-6-methoxy-3-methylphenol?
5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol has a molecular weight of 242.70 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol is sourced from PubChem (CID 117358714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).