2-chloro-4-(1-hydroxybutyl)-6-methoxyphenol

C11H15ClO3 — CID 83950515

IUPAC2-chloro-4-(1-hydroxybutyl)-6-methoxyphenol
SMILESCCCC(O)c1cc(Cl)c(O)c(OC)c1
InChIInChI=1S/C11H15ClO3/c1-3-4-9(13)7-5-8(12)11(14)10(6-7)15-2/h5-6,9,13-14H,3-4H2,1-2H3
InChIKeyKWQFXEPIUDCSLN-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.89
Rot. Bonds4

About 2-chloro-4-(1-hydroxybutyl)-6-methoxyphenol

2-chloro-4-(1-hydroxybutyl)-6-methoxyphenol (PubChem CID 83950515) has the molecular formula C11H15ClO3 and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-chloro-4-(1-hydroxybutyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-chloro-4-(1-hydroxybutyl)-6-methoxyphenol
PubChem CID83950515
Molecular FormulaC11H15ClO3
Molecular Weight230.69 g/mol
Exact Mass230.07
IUPAC Name2-chloro-4-(1-hydroxybutyl)-6-methoxyphenol
SMILESCCCC(O)c1cc(Cl)c(O)c(OC)c1
InChIInChI=1S/C11H15ClO3/c1-3-4-9(13)7-5-8(12)11(14)10(6-7)15-2/h5-6,9,13-14H,3-4H2,1-2H3
InChIKeyKWQFXEPIUDCSLN-UHFFFAOYSA-N
XLogP2.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-amino-2-methylbutyl]-2-chloro-6-methoxyphenol
CID 171215377
ethyl 2-chloro-2-(3-chloro-4-hydroxy-5-methoxyphenyl)acetate
CID 88734278
4-[(1S,2R)-1-amino-2-hydroxy-5-methylhexyl]-2-chloro-6-methoxyphenol
CID 171271429
4-[(1R,2S)-1-amino-2-hydroxy-5-methylhexyl]-2-chloro-6-methoxyphenol
CID 171265755
2-chloro-4-[(1S)-1,2-diaminoethyl]-6-methoxyphenol;hydrochloride
CID 171215335
1-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859245
1-(3,5-dichloro-4-propan-2-yloxyphenyl)butan-1-ol
CID 83953068
4-[(1S)-1-amino-2,2-difluoroethyl]-2-chloro-6-methoxyphenol;hydrochloride
CID 171251487
4-[(1S)-1-amino-2,2-dimethylpropyl]-2-chloro-6-methoxyphenol;hydrochloride
CID 171244763
1-(4-chloro-3-methoxyphenyl)octan-1-ol
CID 79697126
1-(4-chloro-3-methoxyphenyl)decan-1-ol
CID 115817958
4-[(1S)-1-aminopent-4-enyl]-2-chloro-6-methoxyphenol;hydrochloride
CID 171235008

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-hydroxybutyl)-6-methoxyphenol?
The IUPAC name of 2-chloro-4-(1-hydroxybutyl)-6-methoxyphenol (CID 83950515) is 2-chloro-4-(1-hydroxybutyl)-6-methoxyphenol.
What is the SMILES notation for 2-chloro-4-(1-hydroxybutyl)-6-methoxyphenol?
The canonical SMILES for 2-chloro-4-(1-hydroxybutyl)-6-methoxyphenol is CCCC(O)c1cc(Cl)c(O)c(OC)c1.
What is the InChIKey of 2-chloro-4-(1-hydroxybutyl)-6-methoxyphenol?
The InChIKey is KWQFXEPIUDCSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3/c1-3-4-9(13)7-5-8(12)11(14)10(6-7)15-2/h5-6,9,13-14H,3-4H2,1-2H3.
What are the key properties of 2-chloro-4-(1-hydroxybutyl)-6-methoxyphenol?
2-chloro-4-(1-hydroxybutyl)-6-methoxyphenol has a molecular weight of 230.69 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-hydroxybutyl)-6-methoxyphenol is sourced from PubChem (CID 83950515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).