4-butyl-6-chlorobenzene-1,3-diol

C10H13ClO2 — CID 23195020

IUPAC4-butyl-6-chlorobenzene-1,3-diol
SMILESCCCCc1cc(Cl)c(O)cc1O
InChIInChI=1S/C10H13ClO2/c1-2-3-4-7-5-8(11)10(13)6-9(7)12/h5-6,12-13H,2-4H2,1H3
InChIKeyUSRBSMLPWSVGSM-UHFFFAOYSA-N
MW200.66 g/mol
LogP3.09
Rot. Bonds3

About 4-butyl-6-chlorobenzene-1,3-diol

4-butyl-6-chlorobenzene-1,3-diol (PubChem CID 23195020) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 4-butyl-6-chlorobenzene-1,3-diol.

Molecular Properties

Compound Name4-butyl-6-chlorobenzene-1,3-diol
PubChem CID23195020
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name4-butyl-6-chlorobenzene-1,3-diol
SMILESCCCCc1cc(Cl)c(O)cc1O
InChIInChI=1S/C10H13ClO2/c1-2-3-4-7-5-8(11)10(13)6-9(7)12/h5-6,12-13H,2-4H2,1H3
InChIKeyUSRBSMLPWSVGSM-UHFFFAOYSA-N
XLogP3.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-heptylbenzene-1,3-diol
CID 23195029
4-butyl-2-chloro-5-nitrophenol
CID 174519541
4-heptyl-2,5-di(pentadecyl)phenol
CID 90276181
4,6-dipropylbenzene-1,3-diol
CID 70496109
4-bromo-5-butyl-2-propylphenol
CID 118092192
2-butyl-5-(4-butyl-3-hydroxyphenyl)phenol
CID 22954449
5-butyl-4-chloro-2-propan-2-ylphenol
CID 118092137
2-butyl-4-chlorophenol;4-chloro-2-methylphenol
CID 69346609
4-butyl-2,5-dihydroxybenzaldehyde
CID 174681209
5-chloro-2-dodecylphenol
CID 102279992
4-chloro-2-ethyl-5-propylphenol
CID 118092079
2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol
CID 121386327

Frequently Asked Questions

What is the IUPAC name of 4-butyl-6-chlorobenzene-1,3-diol?
The IUPAC name of 4-butyl-6-chlorobenzene-1,3-diol (CID 23195020) is 4-butyl-6-chlorobenzene-1,3-diol.
What is the SMILES notation for 4-butyl-6-chlorobenzene-1,3-diol?
The canonical SMILES for 4-butyl-6-chlorobenzene-1,3-diol is CCCCc1cc(Cl)c(O)cc1O.
What is the InChIKey of 4-butyl-6-chlorobenzene-1,3-diol?
The InChIKey is USRBSMLPWSVGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-2-3-4-7-5-8(11)10(13)6-9(7)12/h5-6,12-13H,2-4H2,1H3.
What are the key properties of 4-butyl-6-chlorobenzene-1,3-diol?
4-butyl-6-chlorobenzene-1,3-diol has a molecular weight of 200.66 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-6-chlorobenzene-1,3-diol is sourced from PubChem (CID 23195020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).