5-chloro-2-[(4-methoxyphenoxy)methyl]phenol

C14H13ClO3 — CID 117221271

IUPAC5-chloro-2-[(4-methoxyphenoxy)methyl]phenol
SMILESCOc1ccc(OCc2ccc(Cl)cc2O)cc1
InChIInChI=1S/C14H13ClO3/c1-17-12-4-6-13(7-5-12)18-9-10-2-3-11(15)8-14(10)16/h2-8,16H,9H2,1H3
InChIKeyNXDQHBVOJIIZSL-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.63
Rot. Bonds4

About 5-chloro-2-[(4-methoxyphenoxy)methyl]phenol

5-chloro-2-[(4-methoxyphenoxy)methyl]phenol (PubChem CID 117221271) has the molecular formula C14H13ClO3 and a molecular weight of 264.71 g/mol. Its IUPAC name is 5-chloro-2-[(4-methoxyphenoxy)methyl]phenol.

Molecular Properties

Compound Name5-chloro-2-[(4-methoxyphenoxy)methyl]phenol
PubChem CID117221271
Molecular FormulaC14H13ClO3
Molecular Weight264.71 g/mol
Exact Mass264.06
IUPAC Name5-chloro-2-[(4-methoxyphenoxy)methyl]phenol
SMILESCOc1ccc(OCc2ccc(Cl)cc2O)cc1
InChIInChI=1S/C14H13ClO3/c1-17-12-4-6-13(7-5-12)18-9-10-2-3-11(15)8-14(10)16/h2-8,16H,9H2,1H3
InChIKeyNXDQHBVOJIIZSL-UHFFFAOYSA-N
XLogP3.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221300
5-methoxy-2-[(4-methylphenoxy)methyl]phenol
CID 117221283
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881
2-[(3-fluorophenoxy)methyl]-5-methoxyphenol
CID 117221189
5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
CID 117174314
5-chloro-2-[(2-chlorophenoxy)methyl]phenol
CID 117221050
3-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile
CID 103566820
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
CID 114860237
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 104980144
1,4-dichloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102879421

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-methoxyphenoxy)methyl]phenol?
The IUPAC name of 5-chloro-2-[(4-methoxyphenoxy)methyl]phenol (CID 117221271) is 5-chloro-2-[(4-methoxyphenoxy)methyl]phenol.
What is the SMILES notation for 5-chloro-2-[(4-methoxyphenoxy)methyl]phenol?
The canonical SMILES for 5-chloro-2-[(4-methoxyphenoxy)methyl]phenol is COc1ccc(OCc2ccc(Cl)cc2O)cc1.
What is the InChIKey of 5-chloro-2-[(4-methoxyphenoxy)methyl]phenol?
The InChIKey is NXDQHBVOJIIZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO3/c1-17-12-4-6-13(7-5-12)18-9-10-2-3-11(15)8-14(10)16/h2-8,16H,9H2,1H3.
What are the key properties of 5-chloro-2-[(4-methoxyphenoxy)methyl]phenol?
5-chloro-2-[(4-methoxyphenoxy)methyl]phenol has a molecular weight of 264.71 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-methoxyphenoxy)methyl]phenol is sourced from PubChem (CID 117221271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).