1,6-bis(3-hydroxyphenyl)naphthalen-2-ol

C22H16O3 — CID 25069448

IUPAC1,6-bis(3-hydroxyphenyl)naphthalen-2-ol
SMILESOc1cccc(-c2ccc3c(-c4cccc(O)c4)c(O)ccc3c2)c1
InChIInChI=1S/C22H16O3/c23-18-5-1-3-14(12-18)15-7-9-20-16(11-15)8-10-21(25)22(20)17-4-2-6-19(24)13-17/h1-13,23-25H
InChIKeyUUOAAGDQRNIMNN-UHFFFAOYSA-N
MW328.37 g/mol
LogP5.29
Rot. Bonds2

About 1,6-bis(3-hydroxyphenyl)naphthalen-2-ol

1,6-bis(3-hydroxyphenyl)naphthalen-2-ol (PubChem CID 25069448) has the molecular formula C22H16O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1,6-bis(3-hydroxyphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1,6-bis(3-hydroxyphenyl)naphthalen-2-ol
PubChem CID25069448
Molecular FormulaC22H16O3
Molecular Weight328.37 g/mol
Exact Mass328.11
IUPAC Name1,6-bis(3-hydroxyphenyl)naphthalen-2-ol
SMILESOc1cccc(-c2ccc3c(-c4cccc(O)c4)c(O)ccc3c2)c1
InChIInChI=1S/C22H16O3/c23-18-5-1-3-14(12-18)15-7-9-20-16(11-15)8-10-21(25)22(20)17-4-2-6-19(24)13-17/h1-13,23-25H
InChIKeyUUOAAGDQRNIMNN-UHFFFAOYSA-N
XLogP5.29
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.37
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-bis(3-hydroxyphenyl)naphthalen-2-ol?
The IUPAC name of 1,6-bis(3-hydroxyphenyl)naphthalen-2-ol (CID 25069448) is 1,6-bis(3-hydroxyphenyl)naphthalen-2-ol.
What is the SMILES notation for 1,6-bis(3-hydroxyphenyl)naphthalen-2-ol?
The canonical SMILES for 1,6-bis(3-hydroxyphenyl)naphthalen-2-ol is Oc1cccc(-c2ccc3c(-c4cccc(O)c4)c(O)ccc3c2)c1.
What is the InChIKey of 1,6-bis(3-hydroxyphenyl)naphthalen-2-ol?
The InChIKey is UUOAAGDQRNIMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O3/c23-18-5-1-3-14(12-18)15-7-9-20-16(11-15)8-10-21(25)22(20)17-4-2-6-19(24)13-17/h1-13,23-25H.
What are the key properties of 1,6-bis(3-hydroxyphenyl)naphthalen-2-ol?
1,6-bis(3-hydroxyphenyl)naphthalen-2-ol has a molecular weight of 328.37 g/mol, XLogP of 5.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(3-hydroxyphenyl)naphthalen-2-ol is sourced from PubChem (CID 25069448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).