4-(cyclopropylmethoxy)-2,5-diphenylbenzene-1,3-diol

C22H20O3 — CID 44577292

IUPAC4-(cyclopropylmethoxy)-2,5-diphenylbenzene-1,3-diol
SMILESOc1cc(-c2ccccc2)c(OCC2CC2)c(O)c1-c1ccccc1
InChIInChI=1S/C22H20O3/c23-19-13-18(16-7-3-1-4-8-16)22(25-14-15-11-12-15)21(24)20(19)17-9-5-2-6-10-17/h1-10,13,15,23-24H,11-12,14H2
InChIKeyYWXOPDHQAOKPGZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP5.22
Rot. Bonds5

About 4-(cyclopropylmethoxy)-2,5-diphenylbenzene-1,3-diol

4-(cyclopropylmethoxy)-2,5-diphenylbenzene-1,3-diol (PubChem CID 44577292) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-2,5-diphenylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-2,5-diphenylbenzene-1,3-diol
PubChem CID44577292
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name4-(cyclopropylmethoxy)-2,5-diphenylbenzene-1,3-diol
SMILESOc1cc(-c2ccccc2)c(OCC2CC2)c(O)c1-c1ccccc1
InChIInChI=1S/C22H20O3/c23-19-13-18(16-7-3-1-4-8-16)22(25-14-15-11-12-15)21(24)20(19)17-9-5-2-6-10-17/h1-10,13,15,23-24H,11-12,14H2
InChIKeyYWXOPDHQAOKPGZ-UHFFFAOYSA-N
XLogP5.22
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-2,5-diphenylbenzene-1,3-diol?
The IUPAC name of 4-(cyclopropylmethoxy)-2,5-diphenylbenzene-1,3-diol (CID 44577292) is 4-(cyclopropylmethoxy)-2,5-diphenylbenzene-1,3-diol.
What is the SMILES notation for 4-(cyclopropylmethoxy)-2,5-diphenylbenzene-1,3-diol?
The canonical SMILES for 4-(cyclopropylmethoxy)-2,5-diphenylbenzene-1,3-diol is Oc1cc(-c2ccccc2)c(OCC2CC2)c(O)c1-c1ccccc1.
What is the InChIKey of 4-(cyclopropylmethoxy)-2,5-diphenylbenzene-1,3-diol?
The InChIKey is YWXOPDHQAOKPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c23-19-13-18(16-7-3-1-4-8-16)22(25-14-15-11-12-15)21(24)20(19)17-9-5-2-6-10-17/h1-10,13,15,23-24H,11-12,14H2.
What are the key properties of 4-(cyclopropylmethoxy)-2,5-diphenylbenzene-1,3-diol?
4-(cyclopropylmethoxy)-2,5-diphenylbenzene-1,3-diol has a molecular weight of 332.40 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-2,5-diphenylbenzene-1,3-diol is sourced from PubChem (CID 44577292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).