1-phenyl-4-phenylmethoxybutan-1-ol

C17H20O2 — CID 101407523

IUPAC1-phenyl-4-phenylmethoxybutan-1-ol
SMILESOC(CCCOCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20O2/c18-17(16-10-5-2-6-11-16)12-7-13-19-14-15-8-3-1-4-9-15/h1-6,8-11,17-18H,7,12-14H2
InChIKeyCFSZBKTUAGJJDW-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.72
Rot. Bonds7

About 1-phenyl-4-phenylmethoxybutan-1-ol

1-phenyl-4-phenylmethoxybutan-1-ol (PubChem CID 101407523) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-phenyl-4-phenylmethoxybutan-1-ol.

Molecular Properties

Compound Name1-phenyl-4-phenylmethoxybutan-1-ol
PubChem CID101407523
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name1-phenyl-4-phenylmethoxybutan-1-ol
SMILESOC(CCCOCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20O2/c18-17(16-10-5-2-6-11-16)12-7-13-19-14-15-8-3-1-4-9-15/h1-6,8-11,17-18H,7,12-14H2
InChIKeyCFSZBKTUAGJJDW-UHFFFAOYSA-N
XLogP3.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-5-phenylmethoxypentan-2-ol
CID 14003295
(2S)-5-phenylmethoxypentane-1,2-diol
CID 11106627
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
(3R)-6-phenylmethoxyhex-1-en-3-ol
CID 23649849
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
(4S)-6-methyl-1-phenylmethoxyheptan-4-ol
CID 11322322
(2S)-15-phenylmethoxypentadecane-1,2-diol
CID 101081021
4-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030
4-hydroxy-3-methyl-7-phenylmethoxyheptan-2-one
CID 18338993
(4S)-1-phenylmethoxynon-8-en-4-ol
CID 71377063
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
(4-hydroperoxy-4-methoxybutoxy)methylbenzene
CID 102051032

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-phenylmethoxybutan-1-ol?
The IUPAC name of 1-phenyl-4-phenylmethoxybutan-1-ol (CID 101407523) is 1-phenyl-4-phenylmethoxybutan-1-ol.
What is the SMILES notation for 1-phenyl-4-phenylmethoxybutan-1-ol?
The canonical SMILES for 1-phenyl-4-phenylmethoxybutan-1-ol is OC(CCCOCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-4-phenylmethoxybutan-1-ol?
The InChIKey is CFSZBKTUAGJJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c18-17(16-10-5-2-6-11-16)12-7-13-19-14-15-8-3-1-4-9-15/h1-6,8-11,17-18H,7,12-14H2.
What are the key properties of 1-phenyl-4-phenylmethoxybutan-1-ol?
1-phenyl-4-phenylmethoxybutan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-phenylmethoxybutan-1-ol is sourced from PubChem (CID 101407523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).