1-[2-(2,7-dihydroxynaphthalen-1-yl)butan-2-yl]naphthalene-2,7-diol

C24H22O4 — CID 23054353

IUPAC1-[2-(2,7-dihydroxynaphthalen-1-yl)butan-2-yl]naphthalene-2,7-diol
SMILESCCC(C)(c1c(O)ccc2ccc(O)cc12)c1c(O)ccc2ccc(O)cc12
InChIInChI=1S/C24H22O4/c1-3-24(2,22-18-12-16(25)8-4-14(18)6-10-20(22)27)23-19-13-17(26)9-5-15(19)7-11-21(23)28/h4-13,25-28H,3H2,1-2H3
InChIKeyJLZXKBAAZAYUQT-UHFFFAOYSA-N
MW374.44 g/mol
LogP5.53
Rot. Bonds3

About 1-[2-(2,7-dihydroxynaphthalen-1-yl)butan-2-yl]naphthalene-2,7-diol

1-[2-(2,7-dihydroxynaphthalen-1-yl)butan-2-yl]naphthalene-2,7-diol (PubChem CID 23054353) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[2-(2,7-dihydroxynaphthalen-1-yl)butan-2-yl]naphthalene-2,7-diol.

Molecular Properties

Compound Name1-[2-(2,7-dihydroxynaphthalen-1-yl)butan-2-yl]naphthalene-2,7-diol
PubChem CID23054353
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Name1-[2-(2,7-dihydroxynaphthalen-1-yl)butan-2-yl]naphthalene-2,7-diol
SMILESCCC(C)(c1c(O)ccc2ccc(O)cc12)c1c(O)ccc2ccc(O)cc12
InChIInChI=1S/C24H22O4/c1-3-24(2,22-18-12-16(25)8-4-14(18)6-10-20(22)27)23-19-13-17(26)9-5-15(19)7-11-21(23)28/h4-13,25-28H,3H2,1-2H3
InChIKeyJLZXKBAAZAYUQT-UHFFFAOYSA-N
XLogP5.53
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2,7-dihydroxynaphthalen-1-yl)butan-2-yl]naphthalene-2,7-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,7-dihydroxynaphthalen-1-yl)butan-2-yl]naphthalene-2,7-diol?
The IUPAC name of 1-[2-(2,7-dihydroxynaphthalen-1-yl)butan-2-yl]naphthalene-2,7-diol (CID 23054353) is 1-[2-(2,7-dihydroxynaphthalen-1-yl)butan-2-yl]naphthalene-2,7-diol.
What is the SMILES notation for 1-[2-(2,7-dihydroxynaphthalen-1-yl)butan-2-yl]naphthalene-2,7-diol?
The canonical SMILES for 1-[2-(2,7-dihydroxynaphthalen-1-yl)butan-2-yl]naphthalene-2,7-diol is CCC(C)(c1c(O)ccc2ccc(O)cc12)c1c(O)ccc2ccc(O)cc12.
What is the InChIKey of 1-[2-(2,7-dihydroxynaphthalen-1-yl)butan-2-yl]naphthalene-2,7-diol?
The InChIKey is JLZXKBAAZAYUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4/c1-3-24(2,22-18-12-16(25)8-4-14(18)6-10-20(22)27)23-19-13-17(26)9-5-15(19)7-11-21(23)28/h4-13,25-28H,3H2,1-2H3.
What are the key properties of 1-[2-(2,7-dihydroxynaphthalen-1-yl)butan-2-yl]naphthalene-2,7-diol?
1-[2-(2,7-dihydroxynaphthalen-1-yl)butan-2-yl]naphthalene-2,7-diol has a molecular weight of 374.44 g/mol, XLogP of 5.53, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,7-dihydroxynaphthalen-1-yl)butan-2-yl]naphthalene-2,7-diol is sourced from PubChem (CID 23054353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).