2-[(E)-3-chloroprop-2-enyl]-6-methylphenol

C10H11ClO — CID 13459628

IUPAC2-[(E)-3-chloroprop-2-enyl]-6-methylphenol
SMILESCc1cccc(C/C=C/Cl)c1O
InChIInChI=1S/C10H11ClO/c1-8-4-2-5-9(10(8)12)6-3-7-11/h2-5,7,12H,6H2,1H3/b7-3+
InChIKeyIAWNUFLLDZSDEE-XVNBXDOJSA-N
MW182.65 g/mol
LogP3.00
Rot. Bonds2

About 2-[(E)-3-chloroprop-2-enyl]-6-methylphenol

2-[(E)-3-chloroprop-2-enyl]-6-methylphenol (PubChem CID 13459628) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 2-[(E)-3-chloroprop-2-enyl]-6-methylphenol.

Molecular Properties

Compound Name2-[(E)-3-chloroprop-2-enyl]-6-methylphenol
PubChem CID13459628
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name2-[(E)-3-chloroprop-2-enyl]-6-methylphenol
SMILESCc1cccc(C/C=C/Cl)c1O
InChIInChI=1S/C10H11ClO/c1-8-4-2-5-9(10(8)12)6-3-7-11/h2-5,7,12H,6H2,1H3/b7-3+
InChIKeyIAWNUFLLDZSDEE-XVNBXDOJSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol
CID 15739153
2-(3-chloroprop-2-enyl)-1,3-dimethylbenzene
CID 139664052
2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 164967326
2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol
CID 20768179
bis(cyclopenta-1,3-diene);bis(2-methyl-6-prop-2-enylphenol);zirconium(2+)
CID 141004924
2-(2-bromoethyl)-6-methylphenol
CID 21464053
2-[[bis[(2-hydroxy-3-methylphenyl)methyl]-methylsilyl]methyl]-6-methylphenol
CID 71653781
tris[(2-hydroxy-3-methylphenyl)methyl]-methylazanium
CID 140618052
2-(2,2-dimethylpropyl)-6-methylphenol
CID 22013258
4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 22278094
2-methyl-6-prop-2-ynylphenol
CID 19103109
2-[(4-hydroxyphenyl)methyl]-6-methylphenol
CID 91146240

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-chloroprop-2-enyl]-6-methylphenol?
The IUPAC name of 2-[(E)-3-chloroprop-2-enyl]-6-methylphenol (CID 13459628) is 2-[(E)-3-chloroprop-2-enyl]-6-methylphenol.
What is the SMILES notation for 2-[(E)-3-chloroprop-2-enyl]-6-methylphenol?
The canonical SMILES for 2-[(E)-3-chloroprop-2-enyl]-6-methylphenol is Cc1cccc(C/C=C/Cl)c1O.
What is the InChIKey of 2-[(E)-3-chloroprop-2-enyl]-6-methylphenol?
The InChIKey is IAWNUFLLDZSDEE-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H11ClO/c1-8-4-2-5-9(10(8)12)6-3-7-11/h2-5,7,12H,6H2,1H3/b7-3+.
What are the key properties of 2-[(E)-3-chloroprop-2-enyl]-6-methylphenol?
2-[(E)-3-chloroprop-2-enyl]-6-methylphenol has a molecular weight of 182.65 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-chloroprop-2-enyl]-6-methylphenol is sourced from PubChem (CID 13459628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).