5-chloro-2-(2-methylpropoxy)phenol

C10H13ClO2 — CID 59319916

IUPAC5-chloro-2-(2-methylpropoxy)phenol
SMILESCC(C)COc1ccc(Cl)cc1O
InChIInChI=1S/C10H13ClO2/c1-7(2)6-13-10-4-3-8(11)5-9(10)12/h3-5,7,12H,6H2,1-2H3
InChIKeyFOIIEGAWNTZJTN-UHFFFAOYSA-N
MW200.66 g/mol
LogP3.08
Rot. Bonds3

About 5-chloro-2-(2-methylpropoxy)phenol

5-chloro-2-(2-methylpropoxy)phenol (PubChem CID 59319916) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 5-chloro-2-(2-methylpropoxy)phenol.

Molecular Properties

Compound Name5-chloro-2-(2-methylpropoxy)phenol
PubChem CID59319916
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name5-chloro-2-(2-methylpropoxy)phenol
SMILESCC(C)COc1ccc(Cl)cc1O
InChIInChI=1S/C10H13ClO2/c1-7(2)6-13-10-4-3-8(11)5-9(10)12/h3-5,7,12H,6H2,1-2H3
InChIKeyFOIIEGAWNTZJTN-UHFFFAOYSA-N
XLogP3.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bromomethyl)-4-chloro-1-(2-methylpropoxy)benzene
CID 43142000
[4-chloro-2-(2-methylpropoxy)phenyl]boronic acid
CID 53216479
2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine
CID 60905190
[4-[5-chloro-2-(2-methylpropoxy)benzoyl]piperazin-1-yl]-[5-chloro-2-(2-methylpropoxy)phenyl]methanone
CID 51059993
1-[5-chloro-2-(2-methylpropoxy)phenyl]-2-propylsulfanylethanone
CID 82051274
1-[5-chloro-2-(2-methylpropoxy)phenyl]-3-(diethylamino)propan-1-one
CID 82051260
(2R)-1-(2,5-dichlorophenoxy)propan-2-ol
CID 106933028
1-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-3-methylbutan-2-ol
CID 114249646
2,4-dichloro-1-(2,2-difluoroethoxy)benzene
CID 57262164
1-(4-chloro-2-fluorophenoxy)propan-2-amine
CID 83396709
1-(5-chloro-2-methylphenoxy)propan-2-ol
CID 21423645
5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol
CID 67724550

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methylpropoxy)phenol?
The IUPAC name of 5-chloro-2-(2-methylpropoxy)phenol (CID 59319916) is 5-chloro-2-(2-methylpropoxy)phenol.
What is the SMILES notation for 5-chloro-2-(2-methylpropoxy)phenol?
The canonical SMILES for 5-chloro-2-(2-methylpropoxy)phenol is CC(C)COc1ccc(Cl)cc1O.
What is the InChIKey of 5-chloro-2-(2-methylpropoxy)phenol?
The InChIKey is FOIIEGAWNTZJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-7(2)6-13-10-4-3-8(11)5-9(10)12/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 5-chloro-2-(2-methylpropoxy)phenol?
5-chloro-2-(2-methylpropoxy)phenol has a molecular weight of 200.66 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methylpropoxy)phenol is sourced from PubChem (CID 59319916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).