diphenylmethanone;[2-(2-ethylhexyl)-4-phenylphenyl]-phenylmethanone

C40H40O2 — CID 174464692

IUPACdiphenylmethanone;[2-(2-ethylhexyl)-4-phenylphenyl]-phenylmethanone
SMILESCCCCC(CC)Cc1cc(-c2ccccc2)ccc1C(=O)c1ccccc1.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30O.C13H10O/c1-3-5-12-21(4-2)19-25-20-24(22-13-8-6-9-14-22)17-18-26(25)27(28)23-15-10-7-11-16-23;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h6-11,13-18,20-21H,3-5,12,19H2,1-2H3;1-10H
InChIKeyQBBTVMGADQDZQS-UHFFFAOYSA-N
MW552.76 g/mol
LogP10.26
Rot. Bonds11

About diphenylmethanone;[2-(2-ethylhexyl)-4-phenylphenyl]-phenylmethanone

diphenylmethanone;[2-(2-ethylhexyl)-4-phenylphenyl]-phenylmethanone (PubChem CID 174464692) has the molecular formula C40H40O2 and a molecular weight of 552.76 g/mol. Its IUPAC name is diphenylmethanone;[2-(2-ethylhexyl)-4-phenylphenyl]-phenylmethanone.

Molecular Properties

Compound Namediphenylmethanone;[2-(2-ethylhexyl)-4-phenylphenyl]-phenylmethanone
PubChem CID174464692
Molecular FormulaC40H40O2
Molecular Weight552.76 g/mol
Exact Mass552.30
IUPAC Namediphenylmethanone;[2-(2-ethylhexyl)-4-phenylphenyl]-phenylmethanone
SMILESCCCCC(CC)Cc1cc(-c2ccccc2)ccc1C(=O)c1ccccc1.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30O.C13H10O/c1-3-5-12-21(4-2)19-25-20-24(22-13-8-6-9-14-22)17-18-26(25)27(28)23-15-10-7-11-16-23;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h6-11,13-18,20-21H,3-5,12,19H2,1-2H3;1-10H
InChIKeyQBBTVMGADQDZQS-UHFFFAOYSA-N
XLogP10.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.76
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2,3-bis(2-ethylhexyl)phenyl]-phenylmethanone;propanedioic acid
CID 159550391
[4-[7-(4-benzoylphenyl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-phenylmethanone
CID 71131328
2-ethylhexyl 2-[4-(4-phenylphenyl)benzoyl]benzoate
CID 118478540
2-(2-ethylhexyl)-4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 68964957
[4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone
CID 17353
diphenylmethanone;3-methylheptane
CID 174880774
(2-hexylphenyl)-(4-phenylphenyl)methanone
CID 151469512
1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene
CID 173144517
4-ethyl-1-phenyloctan-1-one
CID 63399594
(2,4-dibutylphenyl)-phenylmethanone
CID 154224122
[2-(2-hydroxydodecyl)phenyl]-phenylmethanone
CID 54510367
2-[1-[4-amino-2-(2-ethylhexyl)phenyl]-3-ethylheptylidene]propanedioic acid
CID 158474092

Frequently Asked Questions

What is the IUPAC name of diphenylmethanone;[2-(2-ethylhexyl)-4-phenylphenyl]-phenylmethanone?
The IUPAC name of diphenylmethanone;[2-(2-ethylhexyl)-4-phenylphenyl]-phenylmethanone (CID 174464692) is diphenylmethanone;[2-(2-ethylhexyl)-4-phenylphenyl]-phenylmethanone.
What is the SMILES notation for diphenylmethanone;[2-(2-ethylhexyl)-4-phenylphenyl]-phenylmethanone?
The canonical SMILES for diphenylmethanone;[2-(2-ethylhexyl)-4-phenylphenyl]-phenylmethanone is CCCCC(CC)Cc1cc(-c2ccccc2)ccc1C(=O)c1ccccc1.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethanone;[2-(2-ethylhexyl)-4-phenylphenyl]-phenylmethanone?
The InChIKey is QBBTVMGADQDZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O.C13H10O/c1-3-5-12-21(4-2)19-25-20-24(22-13-8-6-9-14-22)17-18-26(25)27(28)23-15-10-7-11-16-23;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h6-11,13-18,20-21H,3-5,12,19H2,1-2H3;1-10H.
What are the key properties of diphenylmethanone;[2-(2-ethylhexyl)-4-phenylphenyl]-phenylmethanone?
diphenylmethanone;[2-(2-ethylhexyl)-4-phenylphenyl]-phenylmethanone has a molecular weight of 552.76 g/mol, XLogP of 10.26, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanone;[2-(2-ethylhexyl)-4-phenylphenyl]-phenylmethanone is sourced from PubChem (CID 174464692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).