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

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Related Compounds

1-(2-aminopropan-2-yl)naphthalene-2,7-diol
CID 117309315
1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol
CID 13354439
1-(2,7-dihydroxynaphthalen-1-yl)naphthalene-2,7-diol
CID 11415880
1-[1-(7-hydroxynaphthalen-1-yl)-1-(4-phenylphenyl)ethyl]naphthalene-2,7-diol
CID 134202853
1-[2-(3,8-dihydroxy-2-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)propan-2-yl]naphthalene-2,6-diol
CID 166761341
1-(2,7-dihydroxynaphthalen-1-yl)oxynaphthalene-2,7-diol
CID 146469077
1-phenylnaphthalene-2,7-diol
CID 118054370
methane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten
CID 159220306
6-(3-methylpentan-3-yl)naphthalen-2-ol
CID 172584757
4-[2-(4-hydroxy-2-propan-2-ylphenyl)butan-2-yl]-3-propan-2-ylphenol
CID 139772711
4-[2-(4-methoxyphenyl)butan-2-yl]phenol
CID 57308830
2-tert-butylbenzene-1,4-diol;ethanol
CID 158505394

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).