1-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]naphthalen-2-ol

C28H22O3 — CID 2774385

IUPAC1-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]naphthalen-2-ol
SMILESCOc1ccc(C(c2c(O)ccc3ccccc23)c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C28H22O3/c1-31-21-14-10-20(11-15-21)26(27-22-8-4-2-6-18(22)12-16-24(27)29)28-23-9-5-3-7-19(23)13-17-25(28)30/h2-17,26,29-30H,1H3
InChIKeyYENKOOSVVPCGAO-UHFFFAOYSA-N
MW406.48 g/mol
LogP6.59
Rot. Bonds4

About 1-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]naphthalen-2-ol

1-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]naphthalen-2-ol (PubChem CID 2774385) has the molecular formula C28H22O3 and a molecular weight of 406.48 g/mol. Its IUPAC name is 1-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]naphthalen-2-ol
PubChem CID2774385
Molecular FormulaC28H22O3
Molecular Weight406.48 g/mol
Exact Mass406.16
IUPAC Name1-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]naphthalen-2-ol
SMILESCOc1ccc(C(c2c(O)ccc3ccccc23)c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C28H22O3/c1-31-21-14-10-20(11-15-21)26(27-22-8-4-2-6-18(22)12-16-24(27)29)28-23-9-5-3-7-19(23)13-17-25(28)30/h2-17,26,29-30H,1H3
InChIKeyYENKOOSVVPCGAO-UHFFFAOYSA-N
XLogP6.59
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]naphthalen-2-ol (CID 2774385) is 1-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]naphthalen-2-ol is COc1ccc(C(c2c(O)ccc3ccccc23)c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 1-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]naphthalen-2-ol?
The InChIKey is YENKOOSVVPCGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O3/c1-31-21-14-10-20(11-15-21)26(27-22-8-4-2-6-18(22)12-16-24(27)29)28-23-9-5-3-7-19(23)13-17-25(28)30/h2-17,26,29-30H,1H3.
What are the key properties of 1-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]naphthalen-2-ol?
1-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]naphthalen-2-ol has a molecular weight of 406.48 g/mol, XLogP of 6.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]naphthalen-2-ol is sourced from PubChem (CID 2774385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).