(3-butoxy-5-butylphenyl)methanol

C15H24O2 — CID 118269486

IUPAC(3-butoxy-5-butylphenyl)methanol
SMILESCCCCOc1cc(CO)cc(CCCC)c1
InChIInChI=1S/C15H24O2/c1-3-5-7-13-9-14(12-16)11-15(10-13)17-8-6-4-2/h9-11,16H,3-8,12H2,1-2H3
InChIKeyQXWZBEYQBBTESK-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.70
Rot. Bonds8

About (3-butoxy-5-butylphenyl)methanol

(3-butoxy-5-butylphenyl)methanol (PubChem CID 118269486) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (3-butoxy-5-butylphenyl)methanol.

Molecular Properties

Compound Name(3-butoxy-5-butylphenyl)methanol
PubChem CID118269486
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(3-butoxy-5-butylphenyl)methanol
SMILESCCCCOc1cc(CO)cc(CCCC)c1
InChIInChI=1S/C15H24O2/c1-3-5-7-13-9-14(12-16)11-15(10-13)17-8-6-4-2/h9-11,16H,3-8,12H2,1-2H3
InChIKeyQXWZBEYQBBTESK-UHFFFAOYSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.70
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

[3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol
CID 67507886
[3-(hydroxymethyl)-5-pentoxyphenyl]methanol;propane
CID 169256035
(3,5-dipentoxyphenyl)methanol
CID 121005447
1-butyl-3,5-di(octacosoxy)benzene
CID 91381222
1-butyl-3,5-di(undecoxy)benzene
CID 173166651
1-butyl-3,5-diheptoxybenzene
CID 91325989
1-butoxy-3,5-bis(chloromethyl)benzene
CID 89058586
3-(hydroxymethyl)-5-octoxyphenol
CID 59029723
(3-docosoxy-5-methoxyphenyl)methanol
CID 155440608
2-[3-decoxy-5-(hydroxymethyl)phenyl]acetonitrile
CID 90344302
3-[3-(3-amino-3-oxopropoxy)-5-butylphenoxy]propanamide
CID 21019528
1,3,5-tributoxybenzene
CID 15933337

Frequently Asked Questions

What is the IUPAC name of (3-butoxy-5-butylphenyl)methanol?
The IUPAC name of (3-butoxy-5-butylphenyl)methanol (CID 118269486) is (3-butoxy-5-butylphenyl)methanol.
What is the SMILES notation for (3-butoxy-5-butylphenyl)methanol?
The canonical SMILES for (3-butoxy-5-butylphenyl)methanol is CCCCOc1cc(CO)cc(CCCC)c1.
What is the InChIKey of (3-butoxy-5-butylphenyl)methanol?
The InChIKey is QXWZBEYQBBTESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-5-7-13-9-14(12-16)11-15(10-13)17-8-6-4-2/h9-11,16H,3-8,12H2,1-2H3.
What are the key properties of (3-butoxy-5-butylphenyl)methanol?
(3-butoxy-5-butylphenyl)methanol has a molecular weight of 236.35 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butoxy-5-butylphenyl)methanol is sourced from PubChem (CID 118269486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).