1-(3,5-dibutyl-4-hydroxyphenyl)naphthalen-2-ol

C24H28O2 — CID 142599446

IUPAC1-(3,5-dibutyl-4-hydroxyphenyl)naphthalen-2-ol
SMILESCCCCc1cc(-c2c(O)ccc3ccccc23)cc(CCCC)c1O
InChIInChI=1S/C24H28O2/c1-3-5-9-18-15-20(16-19(24(18)26)10-6-4-2)23-21-12-8-7-11-17(21)13-14-22(23)25/h7-8,11-16,25-26H,3-6,9-10H2,1-2H3
InChIKeyIYXCHLQNGOPQAP-UHFFFAOYSA-N
MW348.49 g/mol
LogP6.60
Rot. Bonds7

About 1-(3,5-dibutyl-4-hydroxyphenyl)naphthalen-2-ol

1-(3,5-dibutyl-4-hydroxyphenyl)naphthalen-2-ol (PubChem CID 142599446) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(3,5-dibutyl-4-hydroxyphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(3,5-dibutyl-4-hydroxyphenyl)naphthalen-2-ol
PubChem CID142599446
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name1-(3,5-dibutyl-4-hydroxyphenyl)naphthalen-2-ol
SMILESCCCCc1cc(-c2c(O)ccc3ccccc23)cc(CCCC)c1O
InChIInChI=1S/C24H28O2/c1-3-5-9-18-15-20(16-19(24(18)26)10-6-4-2)23-21-12-8-7-11-17(21)13-14-22(23)25/h7-8,11-16,25-26H,3-6,9-10H2,1-2H3
InChIKeyIYXCHLQNGOPQAP-UHFFFAOYSA-N
XLogP6.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]propyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101021854
2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
CID 59129933
3-pentylnaphthalene-1,2-diol
CID 14529620
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
1-(3-fluoro-4-hydroxyphenyl)naphthalen-2-ol
CID 90766733
2-undecylnaphthalen-1-ol
CID 139729579
1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol
CID 102188168
1,2-dibutylnaphthalene;naphthalene
CID 157292740
1-(4-aminophenyl)naphthalen-2-ol
CID 71327010
1,3-dibutyl-2-(4-chlorophenyl)naphthalene
CID 174415687
1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol
CID 58560218
carbanide;1-(9,9-dihexylfluoren-2-yl)naphthalen-2-ol;titanium(3+)
CID 59270127

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibutyl-4-hydroxyphenyl)naphthalen-2-ol?
The IUPAC name of 1-(3,5-dibutyl-4-hydroxyphenyl)naphthalen-2-ol (CID 142599446) is 1-(3,5-dibutyl-4-hydroxyphenyl)naphthalen-2-ol.
What is the SMILES notation for 1-(3,5-dibutyl-4-hydroxyphenyl)naphthalen-2-ol?
The canonical SMILES for 1-(3,5-dibutyl-4-hydroxyphenyl)naphthalen-2-ol is CCCCc1cc(-c2c(O)ccc3ccccc23)cc(CCCC)c1O.
What is the InChIKey of 1-(3,5-dibutyl-4-hydroxyphenyl)naphthalen-2-ol?
The InChIKey is IYXCHLQNGOPQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c1-3-5-9-18-15-20(16-19(24(18)26)10-6-4-2)23-21-12-8-7-11-17(21)13-14-22(23)25/h7-8,11-16,25-26H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(3,5-dibutyl-4-hydroxyphenyl)naphthalen-2-ol?
1-(3,5-dibutyl-4-hydroxyphenyl)naphthalen-2-ol has a molecular weight of 348.49 g/mol, XLogP of 6.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibutyl-4-hydroxyphenyl)naphthalen-2-ol is sourced from PubChem (CID 142599446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).