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

C16H18O3 — CID 70230717

IUPAC2-(hydroxymethyl)-4-[2-(4-methoxyphenyl)ethyl]phenol
SMILESCOc1ccc(CCc2ccc(O)c(CO)c2)cc1
InChIInChI=1S/C16H18O3/c1-19-15-7-4-12(5-8-15)2-3-13-6-9-16(18)14(10-13)11-17/h4-10,17-18H,2-3,11H2,1H3
InChIKeyKXANIZLIXXRHLA-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.68
Rot. Bonds5

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

2-(hydroxymethyl)-4-[2-(4-methoxyphenyl)ethyl]phenol (PubChem CID 70230717) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-[2-(4-methoxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-[2-(4-methoxyphenyl)ethyl]phenol
PubChem CID70230717
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name2-(hydroxymethyl)-4-[2-(4-methoxyphenyl)ethyl]phenol
SMILESCOc1ccc(CCc2ccc(O)c(CO)c2)cc1
InChIInChI=1S/C16H18O3/c1-19-15-7-4-12(5-8-15)2-3-13-6-9-16(18)14(10-13)11-17/h4-10,17-18H,2-3,11H2,1H3
InChIKeyKXANIZLIXXRHLA-UHFFFAOYSA-N
XLogP2.68
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-2-[(4-methoxyphenyl)methyl]phenol
CID 174629007
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298
3,5-bis[2-(4-methoxyphenyl)ethyl]phenol
CID 172870864
3-[2-(4-methoxyphenyl)ethyl]phenol
CID 71375357
4-[2-(4-hydroxyphenyl)ethyl]-2-[2-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]phenol
CID 172870463
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
(4-methoxyphenyl)methanol
CID 7738
4-[(E)-4-(4-hydroxy-3-methoxyphenyl)but-2-enyl]-2-(hydroxymethyl)phenol
CID 122643932
4-[3-[[3-(4-hydroxy-3-methoxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-(hydroxymethyl)phenol
CID 59163577
[3,4-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]methanol
CID 23043876
4-[2-(1-ethyltriazol-4-yl)ethyl]-2-(hydroxymethyl)phenol
CID 112717063
2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 71715351

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-[2-(4-methoxyphenyl)ethyl]phenol?
The IUPAC name of 2-(hydroxymethyl)-4-[2-(4-methoxyphenyl)ethyl]phenol (CID 70230717) is 2-(hydroxymethyl)-4-[2-(4-methoxyphenyl)ethyl]phenol.
What is the SMILES notation for 2-(hydroxymethyl)-4-[2-(4-methoxyphenyl)ethyl]phenol?
The canonical SMILES for 2-(hydroxymethyl)-4-[2-(4-methoxyphenyl)ethyl]phenol is COc1ccc(CCc2ccc(O)c(CO)c2)cc1.
What is the InChIKey of 2-(hydroxymethyl)-4-[2-(4-methoxyphenyl)ethyl]phenol?
The InChIKey is KXANIZLIXXRHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-19-15-7-4-12(5-8-15)2-3-13-6-9-16(18)14(10-13)11-17/h4-10,17-18H,2-3,11H2,1H3.
What are the key properties of 2-(hydroxymethyl)-4-[2-(4-methoxyphenyl)ethyl]phenol?
2-(hydroxymethyl)-4-[2-(4-methoxyphenyl)ethyl]phenol has a molecular weight of 258.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-[2-(4-methoxyphenyl)ethyl]phenol is sourced from PubChem (CID 70230717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).