3,5-bis(2-naphthalen-2-ylethyl)phenol

C30H26O — CID 171715370

IUPAC3,5-bis(2-naphthalen-2-ylethyl)phenol
SMILESOc1cc(CCc2ccc3ccccc3c2)cc(CCc2ccc3ccccc3c2)c1
InChIInChI=1S/C30H26O/c31-30-20-24(11-9-22-13-15-26-5-1-3-7-28(26)18-22)17-25(21-30)12-10-23-14-16-27-6-2-4-8-29(27)19-23/h1-8,13-21,31H,9-12H2
InChIKeyAAJRGYNOPXZAHN-UHFFFAOYSA-N
MW402.54 g/mol
LogP7.27
Rot. Bonds6

About 3,5-bis(2-naphthalen-2-ylethyl)phenol

3,5-bis(2-naphthalen-2-ylethyl)phenol (PubChem CID 171715370) has the molecular formula C30H26O and a molecular weight of 402.54 g/mol. Its IUPAC name is 3,5-bis(2-naphthalen-2-ylethyl)phenol.

Molecular Properties

Compound Name3,5-bis(2-naphthalen-2-ylethyl)phenol
PubChem CID171715370
Molecular FormulaC30H26O
Molecular Weight402.54 g/mol
Exact Mass402.20
IUPAC Name3,5-bis(2-naphthalen-2-ylethyl)phenol
SMILESOc1cc(CCc2ccc3ccccc3c2)cc(CCc2ccc3ccccc3c2)c1
InChIInChI=1S/C30H26O/c31-30-20-24(11-9-22-13-15-26-5-1-3-7-28(26)18-22)17-25(21-30)12-10-23-14-16-27-6-2-4-8-29(27)19-23/h1-8,13-21,31H,9-12H2
InChIKeyAAJRGYNOPXZAHN-UHFFFAOYSA-N
XLogP7.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,5-bis(2-naphthalen-2-ylethyl)phenol with MolForge

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

Launch Full Analysis

Related Compounds

2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
CID 57459119
CID 57459119
3,5-bis[2-(4-methoxyphenyl)ethyl]phenol
CID 172870864
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
CID 69280188
CID 69280188
3-naphthalen-2-ylpropanethioamide;hydrobromide
CID 159191569
4-(naphthalen-2-ylmethylsulfanyl)phenol
CID 175432279
bis(1,4-diethylbenzene);tris(naphthalen-2-ol)
CID 90749949
3-naphthalen-2-ylpropanenitrile
CID 13308301
naphthalen-2-ol
CID 71750931
(1R)-3-naphthalen-2-yl-1-phenylpropan-1-ol
CID 171482397
2-[(3-benzylphenyl)methyl]naphthalene
CID 157208363

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-naphthalen-2-ylethyl)phenol?
The IUPAC name of 3,5-bis(2-naphthalen-2-ylethyl)phenol (CID 171715370) is 3,5-bis(2-naphthalen-2-ylethyl)phenol.
What is the SMILES notation for 3,5-bis(2-naphthalen-2-ylethyl)phenol?
The canonical SMILES for 3,5-bis(2-naphthalen-2-ylethyl)phenol is Oc1cc(CCc2ccc3ccccc3c2)cc(CCc2ccc3ccccc3c2)c1.
What is the InChIKey of 3,5-bis(2-naphthalen-2-ylethyl)phenol?
The InChIKey is AAJRGYNOPXZAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O/c31-30-20-24(11-9-22-13-15-26-5-1-3-7-28(26)18-22)17-25(21-30)12-10-23-14-16-27-6-2-4-8-29(27)19-23/h1-8,13-21,31H,9-12H2.
What are the key properties of 3,5-bis(2-naphthalen-2-ylethyl)phenol?
3,5-bis(2-naphthalen-2-ylethyl)phenol has a molecular weight of 402.54 g/mol, XLogP of 7.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-naphthalen-2-ylethyl)phenol is sourced from PubChem (CID 171715370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).