[2-(4-hydroxybutoxy)phenyl]-phenylmethanone

C17H18O3 — CID 166068572

IUPAC[2-(4-hydroxybutoxy)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1OCCCCO
InChIInChI=1S/C17H18O3/c18-12-6-7-13-20-16-11-5-4-10-15(16)17(19)14-8-2-1-3-9-14/h1-5,8-11,18H,6-7,12-13H2
InChIKeyKRCBAPBEEMGRML-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.07
Rot. Bonds7

About [2-(4-hydroxybutoxy)phenyl]-phenylmethanone

[2-(4-hydroxybutoxy)phenyl]-phenylmethanone (PubChem CID 166068572) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is [2-(4-hydroxybutoxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(4-hydroxybutoxy)phenyl]-phenylmethanone
PubChem CID166068572
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name[2-(4-hydroxybutoxy)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1OCCCCO
InChIInChI=1S/C17H18O3/c18-12-6-7-13-20-16-11-5-4-10-15(16)17(19)14-8-2-1-3-9-14/h1-5,8-11,18H,6-7,12-13H2
InChIKeyKRCBAPBEEMGRML-UHFFFAOYSA-N
XLogP3.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-bromobutoxy)phenyl]-phenylmethanone
CID 12660376
2-(16-hydroxyhexadecoxy)benzoic acid
CID 139706131
phenyl-(2-propoxyphenyl)methanone
CID 15556308
6-(2-benzoylphenoxy)hexyl prop-2-enoate
CID 172762769
[2-[3-[bis(2-hydroxyethyl)amino]propoxymethoxy]phenyl]-phenylmethanone
CID 89415745
15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951
phenyl-(2-prop-2-ynoxyphenyl)methanone
CID 90928602
4-benzoyl-3-butoxybenzoic acid
CID 21440121
(3-decoxy-2-hydroxyphenyl)-phenylmethanone
CID 19898473
(2-hydroxy-3-octoxyphenyl)-phenylmethanone
CID 18769406
2-(4-hydroxybutoxy)benzaldehyde
CID 60773519
4-hydroxybutyl 4-benzoylbenzoate
CID 126720860

Frequently Asked Questions

What is the IUPAC name of [2-(4-hydroxybutoxy)phenyl]-phenylmethanone?
The IUPAC name of [2-(4-hydroxybutoxy)phenyl]-phenylmethanone (CID 166068572) is [2-(4-hydroxybutoxy)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(4-hydroxybutoxy)phenyl]-phenylmethanone?
The canonical SMILES for [2-(4-hydroxybutoxy)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1OCCCCO.
What is the InChIKey of [2-(4-hydroxybutoxy)phenyl]-phenylmethanone?
The InChIKey is KRCBAPBEEMGRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c18-12-6-7-13-20-16-11-5-4-10-15(16)17(19)14-8-2-1-3-9-14/h1-5,8-11,18H,6-7,12-13H2.
What are the key properties of [2-(4-hydroxybutoxy)phenyl]-phenylmethanone?
[2-(4-hydroxybutoxy)phenyl]-phenylmethanone has a molecular weight of 270.33 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-hydroxybutoxy)phenyl]-phenylmethanone is sourced from PubChem (CID 166068572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).