[4-(2-hydroxy-4-methoxybutyl)phenyl]-phenylmethanone

C18H20O3 — CID 175080592

IUPAC[4-(2-hydroxy-4-methoxybutyl)phenyl]-phenylmethanone
SMILESCOCCC(O)Cc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-21-12-11-17(19)13-14-7-9-16(10-8-14)18(20)15-5-3-2-4-6-15/h2-10,17,19H,11-13H2,1H3
InChIKeyZJSURFWIKMJCRY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.86
Rot. Bonds7

About [4-(2-hydroxy-4-methoxybutyl)phenyl]-phenylmethanone

[4-(2-hydroxy-4-methoxybutyl)phenyl]-phenylmethanone (PubChem CID 175080592) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is [4-(2-hydroxy-4-methoxybutyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxy-4-methoxybutyl)phenyl]-phenylmethanone
PubChem CID175080592
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name[4-(2-hydroxy-4-methoxybutyl)phenyl]-phenylmethanone
SMILESCOCCC(O)Cc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-21-12-11-17(19)13-14-7-9-16(10-8-14)18(20)15-5-3-2-4-6-15/h2-10,17,19H,11-13H2,1H3
InChIKeyZJSURFWIKMJCRY-UHFFFAOYSA-N
XLogP2.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 55095519
1-(4-iodophenyl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927712
(2S)-3-[4-[2-(4-benzoylphenoxy)ethyl]phenyl]-2-methoxypropanoic acid
CID 71207526
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
4-methoxy-1-thiophen-3-ylbutan-2-ol
CID 62606552
[3-[4-[3-(4-benzoylphenoxy)propoxy]phenyl]-2-ethoxypropanoyl]oxidanium
CID 163612866
[3-(2-methoxyethyl)phenyl]-phenylmethanone
CID 91307514
1,6-diphenylhexane-2,5-diol
CID 15072586
1-phenyl-4-propoxybutan-2-ol
CID 105076516
(2S)-2-amino-3-(4-benzoylphenyl)propanoic acid;hydrochloride
CID 156593693
2-(2-methoxyethoxy)-3-phenylpropanoic acid
CID 10176890
1-(3-fluorophenyl)-4-methoxybutan-2-ol
CID 61412399

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-4-methoxybutyl)phenyl]-phenylmethanone?
The IUPAC name of [4-(2-hydroxy-4-methoxybutyl)phenyl]-phenylmethanone (CID 175080592) is [4-(2-hydroxy-4-methoxybutyl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(2-hydroxy-4-methoxybutyl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(2-hydroxy-4-methoxybutyl)phenyl]-phenylmethanone is COCCC(O)Cc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(2-hydroxy-4-methoxybutyl)phenyl]-phenylmethanone?
The InChIKey is ZJSURFWIKMJCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-21-12-11-17(19)13-14-7-9-16(10-8-14)18(20)15-5-3-2-4-6-15/h2-10,17,19H,11-13H2,1H3.
What are the key properties of [4-(2-hydroxy-4-methoxybutyl)phenyl]-phenylmethanone?
[4-(2-hydroxy-4-methoxybutyl)phenyl]-phenylmethanone has a molecular weight of 284.36 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-4-methoxybutyl)phenyl]-phenylmethanone is sourced from PubChem (CID 175080592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).