(2-butoxy-4-methoxyphenyl)-phenylmethanone

C18H20O3 — CID 18335918

IUPAC(2-butoxy-4-methoxyphenyl)-phenylmethanone
SMILESCCCCOc1cc(OC)ccc1C(=O)c1ccccc1
InChIInChI=1S/C18H20O3/c1-3-4-12-21-17-13-15(20-2)10-11-16(17)18(19)14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3
InChIKeyHLNWRUQQUFEYLF-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.11
Rot. Bonds7

About (2-butoxy-4-methoxyphenyl)-phenylmethanone

(2-butoxy-4-methoxyphenyl)-phenylmethanone (PubChem CID 18335918) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2-butoxy-4-methoxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-butoxy-4-methoxyphenyl)-phenylmethanone
PubChem CID18335918
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(2-butoxy-4-methoxyphenyl)-phenylmethanone
SMILESCCCCOc1cc(OC)ccc1C(=O)c1ccccc1
InChIInChI=1S/C18H20O3/c1-3-4-12-21-17-13-15(20-2)10-11-16(17)18(19)14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3
InChIKeyHLNWRUQQUFEYLF-UHFFFAOYSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-benzoyl-3-butoxybenzoic acid
CID 21440121
(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 22644201
[2-[2-(4,6-dichloro-1,3,5-triazin-2-yl)ethoxy]-4-methoxyphenyl]-phenylmethanone
CID 22899990
2-butoxy-5-methoxybenzoic acid
CID 43213162
phenyl-(2-propoxyphenyl)methanone
CID 15556308
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;propan-1-amine;hydrochloride
CID 158222494
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
[2-[tert-butyl(dimethyl)silyl]oxy-4-octoxyphenyl]-phenylmethanone
CID 171060871
[4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate
CID 163320636
CID 175499515
CID 175499515
CID 172864174
CID 172864174

Frequently Asked Questions

What is the IUPAC name of (2-butoxy-4-methoxyphenyl)-phenylmethanone?
The IUPAC name of (2-butoxy-4-methoxyphenyl)-phenylmethanone (CID 18335918) is (2-butoxy-4-methoxyphenyl)-phenylmethanone.
What is the SMILES notation for (2-butoxy-4-methoxyphenyl)-phenylmethanone?
The canonical SMILES for (2-butoxy-4-methoxyphenyl)-phenylmethanone is CCCCOc1cc(OC)ccc1C(=O)c1ccccc1.
What is the InChIKey of (2-butoxy-4-methoxyphenyl)-phenylmethanone?
The InChIKey is HLNWRUQQUFEYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-3-4-12-21-17-13-15(20-2)10-11-16(17)18(19)14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3.
What are the key properties of (2-butoxy-4-methoxyphenyl)-phenylmethanone?
(2-butoxy-4-methoxyphenyl)-phenylmethanone has a molecular weight of 284.36 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butoxy-4-methoxyphenyl)-phenylmethanone is sourced from PubChem (CID 18335918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).