4-chloro-3,5-dimethylphenol;2-methoxy-4-[(E)-prop-1-enyl]phenol

C18H21ClO3 — CID 155412642

IUPAC4-chloro-3,5-dimethylphenol;2-methoxy-4-[(E)-prop-1-enyl]phenol
SMILESC/C=C/c1ccc(O)c(OC)c1.Cc1cc(O)cc(C)c1Cl
InChIInChI=1S/C10H12O2.C8H9ClO/c1-3-4-8-5-6-9(11)10(7-8)12-2;1-5-3-7(10)4-6(2)8(5)9/h3-7,11H,1-2H3;3-4,10H,1-2H3/b4-3+;
InChIKeyXLTYYVVQHGFBHB-BJILWQEISA-N
MW320.82 g/mol
LogP5.10
Rot. Bonds2

About 4-chloro-3,5-dimethylphenol;2-methoxy-4-[(E)-prop-1-enyl]phenol

4-chloro-3,5-dimethylphenol;2-methoxy-4-[(E)-prop-1-enyl]phenol (PubChem CID 155412642) has the molecular formula C18H21ClO3 and a molecular weight of 320.82 g/mol. Its IUPAC name is 4-chloro-3,5-dimethylphenol;2-methoxy-4-[(E)-prop-1-enyl]phenol.

Molecular Properties

Compound Name4-chloro-3,5-dimethylphenol;2-methoxy-4-[(E)-prop-1-enyl]phenol
PubChem CID155412642
Molecular FormulaC18H21ClO3
Molecular Weight320.82 g/mol
Exact Mass320.12
IUPAC Name4-chloro-3,5-dimethylphenol;2-methoxy-4-[(E)-prop-1-enyl]phenol
SMILESC/C=C/c1ccc(O)c(OC)c1.Cc1cc(O)cc(C)c1Cl
InChIInChI=1S/C10H12O2.C8H9ClO/c1-3-4-8-5-6-9(11)10(7-8)12-2;1-5-3-7(10)4-6(2)8(5)9/h3-7,11H,1-2H3;3-4,10H,1-2H3/b4-3+;
InChIKeyXLTYYVVQHGFBHB-BJILWQEISA-N
XLogP5.10
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.82
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methylphenol
CID 156557949
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
2-hydroxyacetamide;2-methoxy-4-prop-1-enylphenol
CID 162206225
2-(2-methoxy-5-prop-1-enylphenyl)-4-prop-1-enylphenol
CID 163022116
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid;2-methoxy-4-[(E)-prop-1-enyl]phenol
CID 161331939
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823
2-methoxy-6-methyl-4-[(E)-prop-1-enyl]phenol
CID 45266886
2-methoxy-4-prop-1-enylphenol;phenyl dihydrogen phosphate
CID 175485767
3-(4-hydroxy-3-methoxyphenyl)prop-2-enal;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 172694499
acetonitrile;1-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol;1-(3-methoxy-4-methylphenyl)propane-1,2-diol;2-methoxy-1-methyl-4-[(E)-prop-1-enyl]benzene;2-methoxy-4-[(E)-prop-1-enyl]phenol
CID 162108513
4-[(E)-2-(diphosphanyl)ethenyl]-2-methoxyphenol
CID 143209626

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-dimethylphenol;2-methoxy-4-[(E)-prop-1-enyl]phenol?
The IUPAC name of 4-chloro-3,5-dimethylphenol;2-methoxy-4-[(E)-prop-1-enyl]phenol (CID 155412642) is 4-chloro-3,5-dimethylphenol;2-methoxy-4-[(E)-prop-1-enyl]phenol.
What is the SMILES notation for 4-chloro-3,5-dimethylphenol;2-methoxy-4-[(E)-prop-1-enyl]phenol?
The canonical SMILES for 4-chloro-3,5-dimethylphenol;2-methoxy-4-[(E)-prop-1-enyl]phenol is C/C=C/c1ccc(O)c(OC)c1.Cc1cc(O)cc(C)c1Cl.
What is the InChIKey of 4-chloro-3,5-dimethylphenol;2-methoxy-4-[(E)-prop-1-enyl]phenol?
The InChIKey is XLTYYVVQHGFBHB-BJILWQEISA-N. The full InChI is InChI=1S/C10H12O2.C8H9ClO/c1-3-4-8-5-6-9(11)10(7-8)12-2;1-5-3-7(10)4-6(2)8(5)9/h3-7,11H,1-2H3;3-4,10H,1-2H3/b4-3+;.
What are the key properties of 4-chloro-3,5-dimethylphenol;2-methoxy-4-[(E)-prop-1-enyl]phenol?
4-chloro-3,5-dimethylphenol;2-methoxy-4-[(E)-prop-1-enyl]phenol has a molecular weight of 320.82 g/mol, XLogP of 5.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-dimethylphenol;2-methoxy-4-[(E)-prop-1-enyl]phenol is sourced from PubChem (CID 155412642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).