2,2-bis(2-methylphenyl)-1H-acenaphthylen-1-ol

C26H22O — CID 134887514

IUPAC2,2-bis(2-methylphenyl)-1H-acenaphthylen-1-ol
SMILESCc1ccccc1C1(c2ccccc2C)c2cccc3cccc(c23)C1O
InChIInChI=1S/C26H22O/c1-17-9-3-5-14-21(17)26(22-15-6-4-10-18(22)2)23-16-8-12-19-11-7-13-20(24(19)23)25(26)27/h3-16,25,27H,1-2H3
InChIKeyMTQAQPKCFYMXHM-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.84
Rot. Bonds2

About 2,2-bis(2-methylphenyl)-1H-acenaphthylen-1-ol

2,2-bis(2-methylphenyl)-1H-acenaphthylen-1-ol (PubChem CID 134887514) has the molecular formula C26H22O and a molecular weight of 350.46 g/mol. Its IUPAC name is 2,2-bis(2-methylphenyl)-1H-acenaphthylen-1-ol.

Molecular Properties

Compound Name2,2-bis(2-methylphenyl)-1H-acenaphthylen-1-ol
PubChem CID134887514
Molecular FormulaC26H22O
Molecular Weight350.46 g/mol
Exact Mass350.17
IUPAC Name2,2-bis(2-methylphenyl)-1H-acenaphthylen-1-ol
SMILESCc1ccccc1C1(c2ccccc2C)c2cccc3cccc(c23)C1O
InChIInChI=1S/C26H22O/c1-17-9-3-5-14-21(17)26(22-15-6-4-10-18(22)2)23-16-8-12-19-11-7-13-20(24(19)23)25(26)27/h3-16,25,27H,1-2H3
InChIKeyMTQAQPKCFYMXHM-UHFFFAOYSA-N
XLogP5.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2,2-dimethyl-1H-acenaphthylene-1-carboxylic acid
CID 125481192
9-(2-methylphenyl)-1H-(C60-Ih)[5,6]fullerene
CID 139252672
(1S,2R,3S,4R)-1,4-dimethyl-4-(2-methylphenyl)-2,3-dihydro-1H-naphthalene-2,3-diol
CID 170673933
2-tert-butyl-1-methyl-2H-acenaphthylen-1-ol
CID 166056915
1,8-dimethylnaphthalene;ethane
CID 91447117
1-ethyl-2,2-dimethyl-1H-acenaphthylene
CID 172628060
CID 132600298
CID 132600298
trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol
CID 11263979
4-fluoro-5-methyl-9H-fluoren-9-ol
CID 23235356
2,2-difluoro-1-propan-2-yl-1H-acenaphthylene
CID 166533770
4,21-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 177492723
4,5-dimethylphenanthrene;ethane
CID 143983787

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methylphenyl)-1H-acenaphthylen-1-ol?
The IUPAC name of 2,2-bis(2-methylphenyl)-1H-acenaphthylen-1-ol (CID 134887514) is 2,2-bis(2-methylphenyl)-1H-acenaphthylen-1-ol.
What is the SMILES notation for 2,2-bis(2-methylphenyl)-1H-acenaphthylen-1-ol?
The canonical SMILES for 2,2-bis(2-methylphenyl)-1H-acenaphthylen-1-ol is Cc1ccccc1C1(c2ccccc2C)c2cccc3cccc(c23)C1O.
What is the InChIKey of 2,2-bis(2-methylphenyl)-1H-acenaphthylen-1-ol?
The InChIKey is MTQAQPKCFYMXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O/c1-17-9-3-5-14-21(17)26(22-15-6-4-10-18(22)2)23-16-8-12-19-11-7-13-20(24(19)23)25(26)27/h3-16,25,27H,1-2H3.
What are the key properties of 2,2-bis(2-methylphenyl)-1H-acenaphthylen-1-ol?
2,2-bis(2-methylphenyl)-1H-acenaphthylen-1-ol has a molecular weight of 350.46 g/mol, XLogP of 5.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methylphenyl)-1H-acenaphthylen-1-ol is sourced from PubChem (CID 134887514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).