3-chloro-4-(1-hydroxybutyl)phenol

C10H13ClO2 — CID 154088459

IUPAC3-chloro-4-(1-hydroxybutyl)phenol
SMILESCCCC(O)c1ccc(O)cc1Cl
InChIInChI=1S/C10H13ClO2/c1-2-3-10(13)8-5-4-7(12)6-9(8)11/h4-6,10,12-13H,2-3H2,1H3
InChIKeyCQMCKRWLZREDIF-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.88
Rot. Bonds3

About 3-chloro-4-(1-hydroxybutyl)phenol

3-chloro-4-(1-hydroxybutyl)phenol (PubChem CID 154088459) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 3-chloro-4-(1-hydroxybutyl)phenol.

Molecular Properties

Compound Name3-chloro-4-(1-hydroxybutyl)phenol
PubChem CID154088459
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name3-chloro-4-(1-hydroxybutyl)phenol
SMILESCCCC(O)c1ccc(O)cc1Cl
InChIInChI=1S/C10H13ClO2/c1-2-3-10(13)8-5-4-7(12)6-9(8)11/h4-6,10,12-13H,2-3H2,1H3
InChIKeyCQMCKRWLZREDIF-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-3-methylhexan-1-ol
CID 65151033
1-(2-chloro-4-methylphenyl)-3-methylhexan-1-ol
CID 106859160
1-(4-amino-2-chlorophenyl)octan-1-ol
CID 112736197
1-(2-chloro-4-methoxyphenyl)decan-1-ol
CID 65427527
1-(6-chloro-1,3-benzodioxol-5-yl)butan-1-ol
CID 83988195
(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012
1-(4-chloro-2,5-difluorophenyl)butan-1-ol
CID 115780952
1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
CID 61272351
3-bromo-1-(2-chloro-4-hydroxyphenyl)propane-1,2-diol
CID 171859575
pentan-2-yl 2-chloro-4-hydroxybenzoate
CID 70617362
CID 89047034
CID 89047034
1-(2-chloro-4,5-dimethylphenyl)pentan-1-ol
CID 115484513

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(1-hydroxybutyl)phenol?
The IUPAC name of 3-chloro-4-(1-hydroxybutyl)phenol (CID 154088459) is 3-chloro-4-(1-hydroxybutyl)phenol.
What is the SMILES notation for 3-chloro-4-(1-hydroxybutyl)phenol?
The canonical SMILES for 3-chloro-4-(1-hydroxybutyl)phenol is CCCC(O)c1ccc(O)cc1Cl.
What is the InChIKey of 3-chloro-4-(1-hydroxybutyl)phenol?
The InChIKey is CQMCKRWLZREDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-2-3-10(13)8-5-4-7(12)6-9(8)11/h4-6,10,12-13H,2-3H2,1H3.
What are the key properties of 3-chloro-4-(1-hydroxybutyl)phenol?
3-chloro-4-(1-hydroxybutyl)phenol has a molecular weight of 200.66 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(1-hydroxybutyl)phenol is sourced from PubChem (CID 154088459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).