4-[6-(4-hydroxy-3-methylphenyl)-1,2-dihydroacenaphthylen-5-yl]-2-methylphenol

C26H22O2 — CID 11793283

IUPAC4-[6-(4-hydroxy-3-methylphenyl)-1,2-dihydroacenaphthylen-5-yl]-2-methylphenol
SMILESCc1cc(-c2ccc3c4c(ccc(-c5ccc(O)c(C)c5)c24)CC3)ccc1O
InChIInChI=1S/C26H22O2/c1-15-13-19(7-11-23(15)27)21-9-5-17-3-4-18-6-10-22(26(21)25(17)18)20-8-12-24(28)16(2)14-20/h5-14,27-28H,3-4H2,1-2H3
InChIKeyFIRVLMMVJYWZEZ-UHFFFAOYSA-N
MW366.46 g/mol
LogP6.30
Rot. Bonds2

About 4-[6-(4-hydroxy-3-methylphenyl)-1,2-dihydroacenaphthylen-5-yl]-2-methylphenol

4-[6-(4-hydroxy-3-methylphenyl)-1,2-dihydroacenaphthylen-5-yl]-2-methylphenol (PubChem CID 11793283) has the molecular formula C26H22O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[6-(4-hydroxy-3-methylphenyl)-1,2-dihydroacenaphthylen-5-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[6-(4-hydroxy-3-methylphenyl)-1,2-dihydroacenaphthylen-5-yl]-2-methylphenol
PubChem CID11793283
Molecular FormulaC26H22O2
Molecular Weight366.46 g/mol
Exact Mass366.16
IUPAC Name4-[6-(4-hydroxy-3-methylphenyl)-1,2-dihydroacenaphthylen-5-yl]-2-methylphenol
SMILESCc1cc(-c2ccc3c4c(ccc(-c5ccc(O)c(C)c5)c24)CC3)ccc1O
InChIInChI=1S/C26H22O2/c1-15-13-19(7-11-23(15)27)21-9-5-17-3-4-18-6-10-22(26(21)25(17)18)20-8-12-24(28)16(2)14-20/h5-14,27-28H,3-4H2,1-2H3
InChIKeyFIRVLMMVJYWZEZ-UHFFFAOYSA-N
XLogP6.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[4-[4-(4-tert-butyl-2-methylphenyl)-2-methylphenyl]-2-methylphenyl]-2-methylphenyl]-2-methylphenol
CID 123751575
4-(2,3-dihydro-1H-inden-5-yl)-2-methylphenol
CID 166178430
4-(2,4-dimethylphenyl)-2-methylphenol
CID 53218818
2,6-bis(4-hydroxy-3-methylphenyl)-4-methylphenol
CID 150395203
2-methyl-4-(4-methylnaphthalen-1-yl)phenol
CID 53405300
4-[4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-propan-2-ylphenyl]-2-methylphenol
CID 67653349
4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol
CID 71293385
4-(2,4-difluorophenyl)-2-methylphenol
CID 53218882
ethene;2-(4-hydroxy-3-methylphenyl)-4-methylphenol
CID 143337895
5,6-bis(3-tert-butylphenyl)-1,2-dihydroacenaphthylene
CID 101102131
4-(2-chlorophenyl)-2-methylphenol
CID 53218875
4-(3,6-diphenyl-9H-fluoren-1-yl)-2-methylphenol
CID 139370656

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-hydroxy-3-methylphenyl)-1,2-dihydroacenaphthylen-5-yl]-2-methylphenol?
The IUPAC name of 4-[6-(4-hydroxy-3-methylphenyl)-1,2-dihydroacenaphthylen-5-yl]-2-methylphenol (CID 11793283) is 4-[6-(4-hydroxy-3-methylphenyl)-1,2-dihydroacenaphthylen-5-yl]-2-methylphenol.
What is the SMILES notation for 4-[6-(4-hydroxy-3-methylphenyl)-1,2-dihydroacenaphthylen-5-yl]-2-methylphenol?
The canonical SMILES for 4-[6-(4-hydroxy-3-methylphenyl)-1,2-dihydroacenaphthylen-5-yl]-2-methylphenol is Cc1cc(-c2ccc3c4c(ccc(-c5ccc(O)c(C)c5)c24)CC3)ccc1O.
What is the InChIKey of 4-[6-(4-hydroxy-3-methylphenyl)-1,2-dihydroacenaphthylen-5-yl]-2-methylphenol?
The InChIKey is FIRVLMMVJYWZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O2/c1-15-13-19(7-11-23(15)27)21-9-5-17-3-4-18-6-10-22(26(21)25(17)18)20-8-12-24(28)16(2)14-20/h5-14,27-28H,3-4H2,1-2H3.
What are the key properties of 4-[6-(4-hydroxy-3-methylphenyl)-1,2-dihydroacenaphthylen-5-yl]-2-methylphenol?
4-[6-(4-hydroxy-3-methylphenyl)-1,2-dihydroacenaphthylen-5-yl]-2-methylphenol has a molecular weight of 366.46 g/mol, XLogP of 6.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-hydroxy-3-methylphenyl)-1,2-dihydroacenaphthylen-5-yl]-2-methylphenol is sourced from PubChem (CID 11793283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).