4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol

C16H18O3 — CID 22157586

IUPAC4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol
SMILESCOc1ccc(COCCc2ccc(O)cc2)cc1
InChIInChI=1S/C16H18O3/c1-18-16-8-4-14(5-9-16)12-19-11-10-13-2-6-15(17)7-3-13/h2-9,17H,10-12H2,1H3
InChIKeyCKHCEZDSNDZGTQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.16
Rot. Bonds6

About 4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol

4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol (PubChem CID 22157586) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol
PubChem CID22157586
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol
SMILESCOc1ccc(COCCc2ccc(O)cc2)cc1
InChIInChI=1S/C16H18O3/c1-18-16-8-4-14(5-9-16)12-19-11-10-13-2-6-15(17)7-3-13/h2-9,17H,10-12H2,1H3
InChIKeyCKHCEZDSNDZGTQ-UHFFFAOYSA-N
XLogP3.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
CID 155323267
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine
CID 70275717
1-bromo-4-[4-(4-methoxyphenyl)butoxymethyl]benzene
CID 24799162
1-iodo-4-[4-(4-methoxyphenyl)butoxymethyl]benzene
CID 24799167
methane;4-methoxyphenol
CID 159494332
1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene
CID 143732018
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
(3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol
CID 20758158
3,5-bis[2-(4-methoxyphenyl)ethyl]phenol
CID 172870864
2-[4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenyl]benzonitrile
CID 21257477

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol?
The IUPAC name of 4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol (CID 22157586) is 4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol.
What is the SMILES notation for 4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol?
The canonical SMILES for 4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol is COc1ccc(COCCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol?
The InChIKey is CKHCEZDSNDZGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-18-16-8-4-14(5-9-16)12-19-11-10-13-2-6-15(17)7-3-13/h2-9,17H,10-12H2,1H3.
What are the key properties of 4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol?
4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol has a molecular weight of 258.32 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol is sourced from PubChem (CID 22157586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).