5-chloro-2-(2-methylprop-1-enyl)phenol

C10H11ClO — CID 13333887

IUPAC5-chloro-2-(2-methylprop-1-enyl)phenol
SMILESCC(C)=Cc1ccc(Cl)cc1O
InChIInChI=1S/C10H11ClO/c1-7(2)5-8-3-4-9(11)6-10(8)12/h3-6,12H,1-2H3
InChIKeyLEDCAMGQGWKGRU-UHFFFAOYSA-N
MW182.65 g/mol
LogP3.47
Rot. Bonds1

About 5-chloro-2-(2-methylprop-1-enyl)phenol

5-chloro-2-(2-methylprop-1-enyl)phenol (PubChem CID 13333887) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 5-chloro-2-(2-methylprop-1-enyl)phenol.

Molecular Properties

Compound Name5-chloro-2-(2-methylprop-1-enyl)phenol
PubChem CID13333887
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name5-chloro-2-(2-methylprop-1-enyl)phenol
SMILESCC(C)=Cc1ccc(Cl)cc1O
InChIInChI=1S/C10H11ClO/c1-7(2)5-8-3-4-9(11)6-10(8)12/h3-6,12H,1-2H3
InChIKeyLEDCAMGQGWKGRU-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-2-(2-methylprop-1-enyl)phenol
CID 125494528
4-chloro-1-(2-methylprop-1-enyl)-2-methylsulfanylbenzene
CID 142881124
azane;4-chloro-2-hydroxybenzaldehyde;formaldehyde
CID 161490550
4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
CID 171689350
CID 131883434
CID 131883434
benzene-1,2-diol;4-chlorobenzene-1,2-diol
CID 22153361
2-[(4-chloro-2-hydroxyphenyl)methylideneamino]acetic acid
CID 136866026
(E)-4-(2,4-dichlorophenyl)-3-methylbut-3-en-2-ol
CID 103091134
2-(3-azidoprop-1-enyl)-5-chlorophenol
CID 169461367
1-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-2-fluorobenzene
CID 114867400
(Z)-2-(4-chlorophenyl)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid
CID 83955311
(E)-4-(4-chloro-2-fluorophenyl)-3-methylbut-3-en-2-amine
CID 103091665

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methylprop-1-enyl)phenol?
The IUPAC name of 5-chloro-2-(2-methylprop-1-enyl)phenol (CID 13333887) is 5-chloro-2-(2-methylprop-1-enyl)phenol.
What is the SMILES notation for 5-chloro-2-(2-methylprop-1-enyl)phenol?
The canonical SMILES for 5-chloro-2-(2-methylprop-1-enyl)phenol is CC(C)=Cc1ccc(Cl)cc1O.
What is the InChIKey of 5-chloro-2-(2-methylprop-1-enyl)phenol?
The InChIKey is LEDCAMGQGWKGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c1-7(2)5-8-3-4-9(11)6-10(8)12/h3-6,12H,1-2H3.
What are the key properties of 5-chloro-2-(2-methylprop-1-enyl)phenol?
5-chloro-2-(2-methylprop-1-enyl)phenol has a molecular weight of 182.65 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methylprop-1-enyl)phenol is sourced from PubChem (CID 13333887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).