3-chloro-4-cyclopropyl-5-methoxyphenol

C10H11ClO2 — CID 84668563

IUPAC3-chloro-4-cyclopropyl-5-methoxyphenol
SMILESCOc1cc(O)cc(Cl)c1C1CC1
InChIInChI=1S/C10H11ClO2/c1-13-9-5-7(12)4-8(11)10(9)6-2-3-6/h4-6,12H,2-3H2,1H3
InChIKeyFPKKWXGXSKQSCG-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.93
Rot. Bonds2

About 3-chloro-4-cyclopropyl-5-methoxyphenol

3-chloro-4-cyclopropyl-5-methoxyphenol (PubChem CID 84668563) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-chloro-4-cyclopropyl-5-methoxyphenol.

Molecular Properties

Compound Name3-chloro-4-cyclopropyl-5-methoxyphenol
PubChem CID84668563
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name3-chloro-4-cyclopropyl-5-methoxyphenol
SMILESCOc1cc(O)cc(Cl)c1C1CC1
InChIInChI=1S/C10H11ClO2/c1-13-9-5-7(12)4-8(11)10(9)6-2-3-6/h4-6,12H,2-3H2,1H3
InChIKeyFPKKWXGXSKQSCG-UHFFFAOYSA-N
XLogP2.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine
CID 117382800
1-[(3-chloro-4-cyclopropyl-5-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117384891
4-(2,4-dichloro-6-methoxyphenyl)piperidine
CID 156722732
1-(3-chloro-4-cyclopropyl-5-methoxyphenyl)cyclobutan-1-amine
CID 117382891
3-chloro-4-cyclopentyloxy-5-methoxyphenol
CID 84703480
3-fluoro-5-methoxy-4-piperidin-4-ylphenol
CID 84790128
1-chloro-2-cyclopropyl-5-methoxy-3-(methoxymethoxy)benzene
CID 171478944
4-chloro-5-methoxybenzene-1,3-diol
CID 130033872
(1S,3S)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10845999
3-(4-bromo-2-chloro-6-methoxyphenyl)bicyclo[3.2.1]octane-2,4-dione
CID 90240152
3-amino-4-chloro-5-methoxyphenol
CID 118029335
4-[4-(4-hydroxyphenyl)cyclohexyl]-3-methoxyphenol
CID 151332786

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyclopropyl-5-methoxyphenol?
The IUPAC name of 3-chloro-4-cyclopropyl-5-methoxyphenol (CID 84668563) is 3-chloro-4-cyclopropyl-5-methoxyphenol.
What is the SMILES notation for 3-chloro-4-cyclopropyl-5-methoxyphenol?
The canonical SMILES for 3-chloro-4-cyclopropyl-5-methoxyphenol is COc1cc(O)cc(Cl)c1C1CC1.
What is the InChIKey of 3-chloro-4-cyclopropyl-5-methoxyphenol?
The InChIKey is FPKKWXGXSKQSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-13-9-5-7(12)4-8(11)10(9)6-2-3-6/h4-6,12H,2-3H2,1H3.
What are the key properties of 3-chloro-4-cyclopropyl-5-methoxyphenol?
3-chloro-4-cyclopropyl-5-methoxyphenol has a molecular weight of 198.65 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyclopropyl-5-methoxyphenol is sourced from PubChem (CID 84668563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).