(5-butyl-4-methoxy-2-pyridinyl)-phenylmethanol

C17H21NO2 — CID 54398419

IUPAC(5-butyl-4-methoxy-2-pyridinyl)-phenylmethanol
SMILESCCCCc1cnc(C(O)c2ccccc2)cc1OC
InChIInChI=1S/C17H21NO2/c1-3-4-8-14-12-18-15(11-16(14)20-2)17(19)13-9-6-5-7-10-13/h5-7,9-12,17,19H,3-4,8H2,1-2H3
InChIKeyVLRFILNXLWPONB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.51
Rot. Bonds6

About (5-butyl-4-methoxy-2-pyridinyl)-phenylmethanol

(5-butyl-4-methoxy-2-pyridinyl)-phenylmethanol (PubChem CID 54398419) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (5-butyl-4-methoxy-2-pyridinyl)-phenylmethanol.

Molecular Properties

Compound Name(5-butyl-4-methoxy-2-pyridinyl)-phenylmethanol
PubChem CID54398419
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(5-butyl-4-methoxy-2-pyridinyl)-phenylmethanol
SMILESCCCCc1cnc(C(O)c2ccccc2)cc1OC
InChIInChI=1S/C17H21NO2/c1-3-4-8-14-12-18-15(11-16(14)20-2)17(19)13-9-6-5-7-10-13/h5-7,9-12,17,19H,3-4,8H2,1-2H3
InChIKeyVLRFILNXLWPONB-UHFFFAOYSA-N
XLogP3.51
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-butyl-2-pyridinyl)-phenylmethanol
CID 121226358
(5-butyl-4-methoxy-2-pyridinyl)methanol
CID 13154061
(4-butyl-3-methoxyphenyl)-isoquinolin-1-ylmethanol
CID 59715624
(4-butyl-3-methoxyphenyl)-methoxymethanol
CID 143067809
[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]-phenylmethanol
CID 59678346
4-(2-methoxyphenyl)-1-phenylbutan-1-ol
CID 64513742
(2,6-dimethoxy-4-methylphenyl)-phenylmethanol
CID 101134795
2-butyl-7-methoxycyclohepta-2,4,6-trien-1-one
CID 162445839
bis(4-butoxy-3-methoxyphenyl)methanol
CID 71114416
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
1-methoxy-2-tetradecylbenzene
CID 69169530
(1S)-1-[5-(2-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939114

Frequently Asked Questions

What is the IUPAC name of (5-butyl-4-methoxy-2-pyridinyl)-phenylmethanol?
The IUPAC name of (5-butyl-4-methoxy-2-pyridinyl)-phenylmethanol (CID 54398419) is (5-butyl-4-methoxy-2-pyridinyl)-phenylmethanol.
What is the SMILES notation for (5-butyl-4-methoxy-2-pyridinyl)-phenylmethanol?
The canonical SMILES for (5-butyl-4-methoxy-2-pyridinyl)-phenylmethanol is CCCCc1cnc(C(O)c2ccccc2)cc1OC.
What is the InChIKey of (5-butyl-4-methoxy-2-pyridinyl)-phenylmethanol?
The InChIKey is VLRFILNXLWPONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-4-8-14-12-18-15(11-16(14)20-2)17(19)13-9-6-5-7-10-13/h5-7,9-12,17,19H,3-4,8H2,1-2H3.
What are the key properties of (5-butyl-4-methoxy-2-pyridinyl)-phenylmethanol?
(5-butyl-4-methoxy-2-pyridinyl)-phenylmethanol has a molecular weight of 271.36 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butyl-4-methoxy-2-pyridinyl)-phenylmethanol is sourced from PubChem (CID 54398419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).