2-[3-(4-hydroxyphenyl)-2,4-dimethoxycyclobutyl]-3-methylphenol

C19H22O4 — CID 143647830

IUPAC2-[3-(4-hydroxyphenyl)-2,4-dimethoxycyclobutyl]-3-methylphenol
SMILESCOC1C(c2ccc(O)cc2)C(OC)C1c1c(C)cccc1O
InChIInChI=1S/C19H22O4/c1-11-5-4-6-14(21)15(11)17-18(22-2)16(19(17)23-3)12-7-9-13(20)10-8-12/h4-10,16-21H,1-3H3
InChIKeyXQVLLDIIOZWGAH-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.32
Rot. Bonds4

About 2-[3-(4-hydroxyphenyl)-2,4-dimethoxycyclobutyl]-3-methylphenol

2-[3-(4-hydroxyphenyl)-2,4-dimethoxycyclobutyl]-3-methylphenol (PubChem CID 143647830) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)-2,4-dimethoxycyclobutyl]-3-methylphenol.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)-2,4-dimethoxycyclobutyl]-3-methylphenol
PubChem CID143647830
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name2-[3-(4-hydroxyphenyl)-2,4-dimethoxycyclobutyl]-3-methylphenol
SMILESCOC1C(c2ccc(O)cc2)C(OC)C1c1c(C)cccc1O
InChIInChI=1S/C19H22O4/c1-11-5-4-6-14(21)15(11)17-18(22-2)16(19(17)23-3)12-7-9-13(20)10-8-12/h4-10,16-21H,1-3H3
InChIKeyXQVLLDIIOZWGAH-UHFFFAOYSA-N
XLogP3.32
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxyphenyl)-2,4-dimethoxycyclobutyl]-3-methylphenol?
The IUPAC name of 2-[3-(4-hydroxyphenyl)-2,4-dimethoxycyclobutyl]-3-methylphenol (CID 143647830) is 2-[3-(4-hydroxyphenyl)-2,4-dimethoxycyclobutyl]-3-methylphenol.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)-2,4-dimethoxycyclobutyl]-3-methylphenol?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)-2,4-dimethoxycyclobutyl]-3-methylphenol is COC1C(c2ccc(O)cc2)C(OC)C1c1c(C)cccc1O.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)-2,4-dimethoxycyclobutyl]-3-methylphenol?
The InChIKey is XQVLLDIIOZWGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-11-5-4-6-14(21)15(11)17-18(22-2)16(19(17)23-3)12-7-9-13(20)10-8-12/h4-10,16-21H,1-3H3.
What are the key properties of 2-[3-(4-hydroxyphenyl)-2,4-dimethoxycyclobutyl]-3-methylphenol?
2-[3-(4-hydroxyphenyl)-2,4-dimethoxycyclobutyl]-3-methylphenol has a molecular weight of 314.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxyphenyl)-2,4-dimethoxycyclobutyl]-3-methylphenol is sourced from PubChem (CID 143647830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).