2-[(2-chlorocyclohexen-1-yl)methyl]-4-methoxyphenol

C14H17ClO2 — CID 86191248

IUPAC2-[(2-chlorocyclohexen-1-yl)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CC2=C(Cl)CCCC2)c1
InChIInChI=1S/C14H17ClO2/c1-17-12-6-7-14(16)11(9-12)8-10-4-2-3-5-13(10)15/h6-7,9,16H,2-5,8H2,1H3
InChIKeyUBKDCNDJSHGZGC-UHFFFAOYSA-N
MW252.74 g/mol
LogP4.01
Rot. Bonds3

About 2-[(2-chlorocyclohexen-1-yl)methyl]-4-methoxyphenol

2-[(2-chlorocyclohexen-1-yl)methyl]-4-methoxyphenol (PubChem CID 86191248) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-[(2-chlorocyclohexen-1-yl)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(2-chlorocyclohexen-1-yl)methyl]-4-methoxyphenol
PubChem CID86191248
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name2-[(2-chlorocyclohexen-1-yl)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CC2=C(Cl)CCCC2)c1
InChIInChI=1S/C14H17ClO2/c1-17-12-6-7-14(16)11(9-12)8-10-4-2-3-5-13(10)15/h6-7,9,16H,2-5,8H2,1H3
InChIKeyUBKDCNDJSHGZGC-UHFFFAOYSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
(2-hydroxy-5-methoxyphenyl)methyl-trimethylazanium iodide
CID 56773565
sodium bis[(2-hydroxy-5-methoxyphenyl)methoxy]borinate
CID 139843436
2-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol
CID 1371281
2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol
CID 83229458
2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol
CID 107678999
4-methoxy-2-(3-methylbut-2-enyl)phenol
CID 11819902
4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol
CID 150183157
4-butyl-2-[(4-methoxyphenyl)methyl]phenol
CID 174629007
2-(ethenoxymethyl)-4-methoxyphenol
CID 45091276
3-(2-hydroxy-5-methoxyphenyl)propanenitrile
CID 130773609

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorocyclohexen-1-yl)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(2-chlorocyclohexen-1-yl)methyl]-4-methoxyphenol (CID 86191248) is 2-[(2-chlorocyclohexen-1-yl)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(2-chlorocyclohexen-1-yl)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(2-chlorocyclohexen-1-yl)methyl]-4-methoxyphenol is COc1ccc(O)c(CC2=C(Cl)CCCC2)c1.
What is the InChIKey of 2-[(2-chlorocyclohexen-1-yl)methyl]-4-methoxyphenol?
The InChIKey is UBKDCNDJSHGZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-17-12-6-7-14(16)11(9-12)8-10-4-2-3-5-13(10)15/h6-7,9,16H,2-5,8H2,1H3.
What are the key properties of 2-[(2-chlorocyclohexen-1-yl)methyl]-4-methoxyphenol?
2-[(2-chlorocyclohexen-1-yl)methyl]-4-methoxyphenol has a molecular weight of 252.74 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorocyclohexen-1-yl)methyl]-4-methoxyphenol is sourced from PubChem (CID 86191248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).