ethane;[4-(2-ethylbutoxy)phenyl]-phenylmethanone

C21H28O2 — CID 143798927

IUPACethane;[4-(2-ethylbutoxy)phenyl]-phenylmethanone
SMILESCC.CCC(CC)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H22O2.C2H6/c1-3-15(4-2)14-21-18-12-10-17(11-13-18)19(20)16-8-6-5-7-9-16;1-2/h5-13,15H,3-4,14H2,1-2H3;1-2H3
InChIKeyFQRYQGRWBBUCCF-UHFFFAOYSA-N
MW312.45 g/mol
LogP5.76
Rot. Bonds7

About ethane;[4-(2-ethylbutoxy)phenyl]-phenylmethanone

ethane;[4-(2-ethylbutoxy)phenyl]-phenylmethanone (PubChem CID 143798927) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is ethane;[4-(2-ethylbutoxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Nameethane;[4-(2-ethylbutoxy)phenyl]-phenylmethanone
PubChem CID143798927
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Nameethane;[4-(2-ethylbutoxy)phenyl]-phenylmethanone
SMILESCC.CCC(CC)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H22O2.C2H6/c1-3-15(4-2)14-21-18-12-10-17(11-13-18)19(20)16-8-6-5-7-9-16;1-2/h5-13,15H,3-4,14H2,1-2H3;1-2H3
InChIKeyFQRYQGRWBBUCCF-UHFFFAOYSA-N
XLogP5.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.45
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-[4-(2-ethylbutoxy)phenyl]-3-phenylprop-2-enoic acid
CID 68864480
ethyl 4-(2-ethylbutoxy)benzoate
CID 82926863
1-(4-benzoylphenoxy)-3-methylpentan-2-one
CID 71182680
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
[4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone
CID 17353
1-[(2E,4E)-3,4-dimethyl-5-phenylhexa-2,4-dien-2-yl]-4-(2-ethylhexoxy)benzene
CID 59296842
1-[3-(2-ethylbutoxy)phenyl]ethanone
CID 82927221
chloromethane;[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone;hydrate
CID 66916242
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
(NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine
CID 82926938
[4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone
CID 101243710
[4-[3-[[3-(4-benzoylphenoxy)-2-hydroxypropyl]-[2-[2-[bis[3-(4-benzoylphenoxy)-2-hydroxypropyl]amino]ethoxy]ethyl]amino]-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 88591534

Frequently Asked Questions

What is the IUPAC name of ethane;[4-(2-ethylbutoxy)phenyl]-phenylmethanone?
The IUPAC name of ethane;[4-(2-ethylbutoxy)phenyl]-phenylmethanone (CID 143798927) is ethane;[4-(2-ethylbutoxy)phenyl]-phenylmethanone.
What is the SMILES notation for ethane;[4-(2-ethylbutoxy)phenyl]-phenylmethanone?
The canonical SMILES for ethane;[4-(2-ethylbutoxy)phenyl]-phenylmethanone is CC.CCC(CC)COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of ethane;[4-(2-ethylbutoxy)phenyl]-phenylmethanone?
The InChIKey is FQRYQGRWBBUCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2.C2H6/c1-3-15(4-2)14-21-18-12-10-17(11-13-18)19(20)16-8-6-5-7-9-16;1-2/h5-13,15H,3-4,14H2,1-2H3;1-2H3.
What are the key properties of ethane;[4-(2-ethylbutoxy)phenyl]-phenylmethanone?
ethane;[4-(2-ethylbutoxy)phenyl]-phenylmethanone has a molecular weight of 312.45 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-(2-ethylbutoxy)phenyl]-phenylmethanone is sourced from PubChem (CID 143798927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).