6-[(4-phenylphenyl)methoxy]hexan-2-one

C19H22O2 — CID 67703506

IUPAC6-[(4-phenylphenyl)methoxy]hexan-2-one
SMILESCC(=O)CCCCOCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H22O2/c1-16(20)7-5-6-14-21-15-17-10-12-19(13-11-17)18-8-3-2-4-9-18/h2-4,8-13H,5-7,14-15H2,1H3
InChIKeyJDBOBBWMDVOITH-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.63
Rot. Bonds8

About 6-[(4-phenylphenyl)methoxy]hexan-2-one

6-[(4-phenylphenyl)methoxy]hexan-2-one (PubChem CID 67703506) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 6-[(4-phenylphenyl)methoxy]hexan-2-one.

Molecular Properties

Compound Name6-[(4-phenylphenyl)methoxy]hexan-2-one
PubChem CID67703506
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name6-[(4-phenylphenyl)methoxy]hexan-2-one
SMILESCC(=O)CCCCOCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H22O2/c1-16(20)7-5-6-14-21-15-17-10-12-19(13-11-17)18-8-3-2-4-9-18/h2-4,8-13H,5-7,14-15H2,1H3
InChIKeyJDBOBBWMDVOITH-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(4-chlorophenyl)methoxy]hexan-2-one
CID 65126289
6-[(4-phenylphenyl)methoxy]hexan-1-amine
CID 22237387
methyl 8-phenylmethoxyoctanoate
CID 562206
(2Z)-2-ethylidene-6-phenylmethoxyhexanoic acid
CID 102373802
acetic acid;5-phenylmethoxypentan-1-ol
CID 71441282
8-methylnon-8-enoxymethylbenzene
CID 10776845
acetic acid;butoxymethylbenzene
CID 139463153
3-methyl-6-phenylmethoxyhexan-2-one
CID 15686946
6-[(2,6-difluorophenyl)methoxy]hexan-2-one
CID 135222385
CID 162408716
CID 162408716
9-hydroxy-18-phenylmethoxyoctadecanoic acid
CID 101300567
6-[[3-[(E)-prop-1-enyl]phenyl]methoxy]hexan-2-one
CID 135222260

Frequently Asked Questions

What is the IUPAC name of 6-[(4-phenylphenyl)methoxy]hexan-2-one?
The IUPAC name of 6-[(4-phenylphenyl)methoxy]hexan-2-one (CID 67703506) is 6-[(4-phenylphenyl)methoxy]hexan-2-one.
What is the SMILES notation for 6-[(4-phenylphenyl)methoxy]hexan-2-one?
The canonical SMILES for 6-[(4-phenylphenyl)methoxy]hexan-2-one is CC(=O)CCCCOCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 6-[(4-phenylphenyl)methoxy]hexan-2-one?
The InChIKey is JDBOBBWMDVOITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-16(20)7-5-6-14-21-15-17-10-12-19(13-11-17)18-8-3-2-4-9-18/h2-4,8-13H,5-7,14-15H2,1H3.
What are the key properties of 6-[(4-phenylphenyl)methoxy]hexan-2-one?
6-[(4-phenylphenyl)methoxy]hexan-2-one has a molecular weight of 282.38 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-phenylphenyl)methoxy]hexan-2-one is sourced from PubChem (CID 67703506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).