2-[1-(4-methoxyphenyl)ethyl]benzene-1,3-diol

C15H16O3 — CID 175586674

IUPAC2-[1-(4-methoxyphenyl)ethyl]benzene-1,3-diol
SMILESCOc1ccc(C(C)c2c(O)cccc2O)cc1
InChIInChI=1S/C15H16O3/c1-10(11-6-8-12(18-2)9-7-11)15-13(16)4-3-5-14(15)17/h3-10,16-17H,1-2H3
InChIKeyADPUYXAGDDQTCA-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.26
Rot. Bonds3

About 2-[1-(4-methoxyphenyl)ethyl]benzene-1,3-diol

2-[1-(4-methoxyphenyl)ethyl]benzene-1,3-diol (PubChem CID 175586674) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)ethyl]benzene-1,3-diol
PubChem CID175586674
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name2-[1-(4-methoxyphenyl)ethyl]benzene-1,3-diol
SMILESCOc1ccc(C(C)c2c(O)cccc2O)cc1
InChIInChI=1S/C15H16O3/c1-10(11-6-8-12(18-2)9-7-11)15-13(16)4-3-5-14(15)17/h3-10,16-17H,1-2H3
InChIKeyADPUYXAGDDQTCA-UHFFFAOYSA-N
XLogP3.26
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-methoxyphenyl)ethyl]naphthalen-2-ol
CID 101441341
2-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]benzene-1,3-diol
CID 154195853
6-methoxy-1-[1-(6-methoxynaphthalen-2-yl)ethyl]naphthalen-2-ol
CID 71406120
4-[1-(4-methoxyphenyl)ethyl]aniline
CID 11644284
4-hydroxy-3-[1-(4-methoxyphenyl)ethyl]chromen-2-one
CID 135015440
CID 175713586
CID 175713586
1-[(1R,2S)-1,2-dibromopropyl]-4-methoxybenzene
CID 101388569
(2S,3R)-3-(4-methoxyphenyl)butan-2-ol
CID 13481815
(2R)-1,1-bis(4-methoxyphenyl)propan-2-ol
CID 91746525
2-[2-[bis(4-methoxyphenyl)methyl]-3-hydroxyphenyl]-2-chloroacetamide
CID 143116392
3-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]benzene-1,2-diol
CID 81370718
3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol
CID 81370710

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)ethyl]benzene-1,3-diol?
The IUPAC name of 2-[1-(4-methoxyphenyl)ethyl]benzene-1,3-diol (CID 175586674) is 2-[1-(4-methoxyphenyl)ethyl]benzene-1,3-diol.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)ethyl]benzene-1,3-diol?
The canonical SMILES for 2-[1-(4-methoxyphenyl)ethyl]benzene-1,3-diol is COc1ccc(C(C)c2c(O)cccc2O)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)ethyl]benzene-1,3-diol?
The InChIKey is ADPUYXAGDDQTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-10(11-6-8-12(18-2)9-7-11)15-13(16)4-3-5-14(15)17/h3-10,16-17H,1-2H3.
What are the key properties of 2-[1-(4-methoxyphenyl)ethyl]benzene-1,3-diol?
2-[1-(4-methoxyphenyl)ethyl]benzene-1,3-diol has a molecular weight of 244.29 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)ethyl]benzene-1,3-diol is sourced from PubChem (CID 175586674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).