2-hydroxy-5-(4-phenylbutyl)benzaldehyde

C17H18O2 — CID 166610719

IUPAC2-hydroxy-5-(4-phenylbutyl)benzaldehyde
SMILESO=Cc1cc(CCCCc2ccccc2)ccc1O
InChIInChI=1S/C17H18O2/c18-13-16-12-15(10-11-17(16)19)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10-13,19H,4-5,8-9H2
InChIKeyLYGSCTYOBIUXFR-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.77
Rot. Bonds6

About 2-hydroxy-5-(4-phenylbutyl)benzaldehyde

2-hydroxy-5-(4-phenylbutyl)benzaldehyde (PubChem CID 166610719) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-hydroxy-5-(4-phenylbutyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-(4-phenylbutyl)benzaldehyde
PubChem CID166610719
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-hydroxy-5-(4-phenylbutyl)benzaldehyde
SMILESO=Cc1cc(CCCCc2ccccc2)ccc1O
InChIInChI=1S/C17H18O2/c18-13-16-12-15(10-11-17(16)19)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10-13,19H,4-5,8-9H2
InChIKeyLYGSCTYOBIUXFR-UHFFFAOYSA-N
XLogP3.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-(2-phenylethyl)benzaldehyde
CID 101003215
magnesium;hydride;2-hydroxy-5-nonylbenzaldehyde
CID 174742388
4-(4-phenylbutyl)benzene-1,2-diol
CID 15135539
4-(10-phenyldecyl)benzene-1,2-diol
CID 14057488
benzyl-[(3-formyl-4-hydroxyphenyl)methyl]-dimethylazanium chloride
CID 141482470
N-(3-formyl-4-hydroxyphenyl)-N-[(4-heptylphenyl)methyl]benzamide
CID 144619615
2-hydroxy-5-(pyridin-1-ium-1-ylmethyl)benzaldehyde chloride
CID 44888822
5-[[5-butyl-3-[(3-formyl-4-hydroxyphenyl)methyl]-2-hydroxyphenyl]methyl]-2-hydroxybenzaldehyde
CID 87221690
N-[2-(3-formyl-4-hydroxyphenyl)ethyl]-methylboronamidic acid
CID 166045297
2-hydroxy-5-(2-oxopropyl)benzaldehyde
CID 130776393
2-hydroxy-4-pentadecylbenzaldehyde
CID 3270829
4-phenylbutylbenzene
CID 141301927

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(4-phenylbutyl)benzaldehyde?
The IUPAC name of 2-hydroxy-5-(4-phenylbutyl)benzaldehyde (CID 166610719) is 2-hydroxy-5-(4-phenylbutyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-5-(4-phenylbutyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-5-(4-phenylbutyl)benzaldehyde is O=Cc1cc(CCCCc2ccccc2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(4-phenylbutyl)benzaldehyde?
The InChIKey is LYGSCTYOBIUXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c18-13-16-12-15(10-11-17(16)19)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10-13,19H,4-5,8-9H2.
What are the key properties of 2-hydroxy-5-(4-phenylbutyl)benzaldehyde?
2-hydroxy-5-(4-phenylbutyl)benzaldehyde has a molecular weight of 254.33 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(4-phenylbutyl)benzaldehyde is sourced from PubChem (CID 166610719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).