2-[2-(1-hydroxynaphthalen-2-yl)-3,6-di(propan-2-yl)phenyl]naphthalen-1-ol

C32H30O2 — CID 19862843

IUPAC2-[2-(1-hydroxynaphthalen-2-yl)-3,6-di(propan-2-yl)phenyl]naphthalen-1-ol
SMILESCC(C)c1ccc(C(C)C)c(-c2ccc3ccccc3c2O)c1-c1ccc2ccccc2c1O
InChIInChI=1S/C32H30O2/c1-19(2)23-17-18-24(20(3)4)30(28-16-14-22-10-6-8-12-26(22)32(28)34)29(23)27-15-13-21-9-5-7-11-25(21)31(27)33/h5-20,33-34H,1-4H3
InChIKeyVJTCWJYQKKUGMU-UHFFFAOYSA-N
MW446.59 g/mol
LogP8.98
Rot. Bonds4

About 2-[2-(1-hydroxynaphthalen-2-yl)-3,6-di(propan-2-yl)phenyl]naphthalen-1-ol

2-[2-(1-hydroxynaphthalen-2-yl)-3,6-di(propan-2-yl)phenyl]naphthalen-1-ol (PubChem CID 19862843) has the molecular formula C32H30O2 and a molecular weight of 446.59 g/mol. Its IUPAC name is 2-[2-(1-hydroxynaphthalen-2-yl)-3,6-di(propan-2-yl)phenyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[2-(1-hydroxynaphthalen-2-yl)-3,6-di(propan-2-yl)phenyl]naphthalen-1-ol
PubChem CID19862843
Molecular FormulaC32H30O2
Molecular Weight446.59 g/mol
Exact Mass446.22
IUPAC Name2-[2-(1-hydroxynaphthalen-2-yl)-3,6-di(propan-2-yl)phenyl]naphthalen-1-ol
SMILESCC(C)c1ccc(C(C)C)c(-c2ccc3ccccc3c2O)c1-c1ccc2ccccc2c1O
InChIInChI=1S/C32H30O2/c1-19(2)23-17-18-24(20(3)4)30(28-16-14-22-10-6-8-12-26(22)32(28)34)29(23)27-15-13-21-9-5-7-11-25(21)31(27)33/h5-20,33-34H,1-4H3
InChIKeyVJTCWJYQKKUGMU-UHFFFAOYSA-N
XLogP8.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 58.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-bromoethyl)naphthalen-1-ol
CID 140980182
1,2-di(propan-2-yl)naphthalene;hydrogen peroxide
CID 19002409
2-(2-methoxynaphthalen-1-yl)-6-methyl-3-propan-2-ylphenol
CID 102189709
2-propan-2-yl-1-(3-propan-2-ylnaphthalen-1-yl)naphthalene
CID 147001683
azane;1,2-di(propan-2-yl)naphthalene
CID 172719874
1-chloro-2-propan-2-ylnaphthalene
CID 59606760
2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol
CID 23082396
2-(4-aminophenyl)naphthalen-1-ol
CID 154335027
2-(4,6-dichloropyrimidin-5-yl)naphthalen-1-ol
CID 168816117
2-[(1S)-1-hydroxy-5-methylhexyl]naphthalen-1-ol
CID 70490928
2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]naphthalen-1-ol
CID 82977951
2-(2-chloro-6-fluorophenyl)naphthalen-1-ol
CID 166042727

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxynaphthalen-2-yl)-3,6-di(propan-2-yl)phenyl]naphthalen-1-ol?
The IUPAC name of 2-[2-(1-hydroxynaphthalen-2-yl)-3,6-di(propan-2-yl)phenyl]naphthalen-1-ol (CID 19862843) is 2-[2-(1-hydroxynaphthalen-2-yl)-3,6-di(propan-2-yl)phenyl]naphthalen-1-ol.
What is the SMILES notation for 2-[2-(1-hydroxynaphthalen-2-yl)-3,6-di(propan-2-yl)phenyl]naphthalen-1-ol?
The canonical SMILES for 2-[2-(1-hydroxynaphthalen-2-yl)-3,6-di(propan-2-yl)phenyl]naphthalen-1-ol is CC(C)c1ccc(C(C)C)c(-c2ccc3ccccc3c2O)c1-c1ccc2ccccc2c1O.
What is the InChIKey of 2-[2-(1-hydroxynaphthalen-2-yl)-3,6-di(propan-2-yl)phenyl]naphthalen-1-ol?
The InChIKey is VJTCWJYQKKUGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30O2/c1-19(2)23-17-18-24(20(3)4)30(28-16-14-22-10-6-8-12-26(22)32(28)34)29(23)27-15-13-21-9-5-7-11-25(21)31(27)33/h5-20,33-34H,1-4H3.
What are the key properties of 2-[2-(1-hydroxynaphthalen-2-yl)-3,6-di(propan-2-yl)phenyl]naphthalen-1-ol?
2-[2-(1-hydroxynaphthalen-2-yl)-3,6-di(propan-2-yl)phenyl]naphthalen-1-ol has a molecular weight of 446.59 g/mol, XLogP of 8.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxynaphthalen-2-yl)-3,6-di(propan-2-yl)phenyl]naphthalen-1-ol is sourced from PubChem (CID 19862843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).