5-chloro-2-methoxy-3-propan-2-ylphenol

C10H13ClO2 — CID 82265898

IUPAC5-chloro-2-methoxy-3-propan-2-ylphenol
SMILESCOc1c(O)cc(Cl)cc1C(C)C
InChIInChI=1S/C10H13ClO2/c1-6(2)8-4-7(11)5-9(12)10(8)13-3/h4-6,12H,1-3H3
InChIKeyCRNPLIZMFLGXNK-UHFFFAOYSA-N
MW200.66 g/mol
LogP3.18
Rot. Bonds2

About 5-chloro-2-methoxy-3-propan-2-ylphenol

5-chloro-2-methoxy-3-propan-2-ylphenol (PubChem CID 82265898) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3-propan-2-ylphenol.

Molecular Properties

Compound Name5-chloro-2-methoxy-3-propan-2-ylphenol
PubChem CID82265898
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name5-chloro-2-methoxy-3-propan-2-ylphenol
SMILESCOc1c(O)cc(Cl)cc1C(C)C
InChIInChI=1S/C10H13ClO2/c1-6(2)8-4-7(11)5-9(12)10(8)13-3/h4-6,12H,1-3H3
InChIKeyCRNPLIZMFLGXNK-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol
CID 117358952
methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117434568
5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol
CID 84680663
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117430052
5-chloro-1-hex-5-en-3-yl-2-methoxy-3-propan-2-ylbenzene
CID 83938767
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoic acid
CID 82265884
5-chloro-1-(3-chloropropyl)-2-methoxy-3-propan-2-ylbenzene
CID 83938688
1-(3,5-dichloro-2-methoxyphenyl)ethanol
CID 82267021
methyl 3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propanoate
CID 82552820
5-chloro-2-ethoxy-3-methoxyphenol
CID 121210338
3,5-dichloro-2-propan-2-yloxyphenol
CID 82267072
5-chloro-2-methoxy-1-[(Z)-2-methylpent-3-enyl]-3-propan-2-ylbenzene
CID 83938771

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-3-propan-2-ylphenol?
The IUPAC name of 5-chloro-2-methoxy-3-propan-2-ylphenol (CID 82265898) is 5-chloro-2-methoxy-3-propan-2-ylphenol.
What is the SMILES notation for 5-chloro-2-methoxy-3-propan-2-ylphenol?
The canonical SMILES for 5-chloro-2-methoxy-3-propan-2-ylphenol is COc1c(O)cc(Cl)cc1C(C)C.
What is the InChIKey of 5-chloro-2-methoxy-3-propan-2-ylphenol?
The InChIKey is CRNPLIZMFLGXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-6(2)8-4-7(11)5-9(12)10(8)13-3/h4-6,12H,1-3H3.
What are the key properties of 5-chloro-2-methoxy-3-propan-2-ylphenol?
5-chloro-2-methoxy-3-propan-2-ylphenol has a molecular weight of 200.66 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-3-propan-2-ylphenol is sourced from PubChem (CID 82265898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).