2-[4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-prop-1-enyl-3-pyridinyl]ethanol

C29H35NO2 — CID 67483824

IUPAC2-[4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-prop-1-enyl-3-pyridinyl]ethanol
SMILESCC=Cc1c(C(C)C)nc(C(C)C)c(CCO)c1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C29H35NO2/c1-6-12-24-27(25(17-18-31)29(21(4)5)30-28(24)20(2)3)23-15-10-11-16-26(23)32-19-22-13-8-7-9-14-22/h6-16,20-21,31H,17-19H2,1-5H3
InChIKeyVQQGUFGVAYGMKQ-UHFFFAOYSA-N
MW429.60 g/mol
LogP7.14
Rot. Bonds9

About 2-[4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-prop-1-enyl-3-pyridinyl]ethanol

2-[4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-prop-1-enyl-3-pyridinyl]ethanol (PubChem CID 67483824) has the molecular formula C29H35NO2 and a molecular weight of 429.60 g/mol. Its IUPAC name is 2-[4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-prop-1-enyl-3-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-prop-1-enyl-3-pyridinyl]ethanol
PubChem CID67483824
Molecular FormulaC29H35NO2
Molecular Weight429.60 g/mol
Exact Mass429.27
IUPAC Name2-[4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-prop-1-enyl-3-pyridinyl]ethanol
SMILESCC=Cc1c(C(C)C)nc(C(C)C)c(CCO)c1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C29H35NO2/c1-6-12-24-27(25(17-18-31)29(21(4)5)30-28(24)20(2)3)23-15-10-11-16-26(23)32-19-22-13-8-7-9-14-22/h6-16,20-21,31H,17-19H2,1-5H3
InChIKeyVQQGUFGVAYGMKQ-UHFFFAOYSA-N
XLogP7.14
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.60
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-prop-1-enyl-3-pyridinyl]ethanol with MolForge

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Related Compounds

1-[4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-[(E)-prop-1-enyl]-3-pyridinyl]ethanol
CID 66576985
methyl 4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-prop-1-enylpyridine-3-carboxylate
CID 131854388
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
2-(4-fluoro-2-phenylmethoxyphenyl)-4,6-di(propan-2-yl)-3-propylbenzaldehyde
CID 22004925
[5-[(E)-but-1-enyl]-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22004914
[2-(4-fluoro-2-phenylmethoxy-3-prop-1-enylphenyl)-4,6-di(propan-2-yl)phenyl]methanol
CID 67483272
(1S)-1-[4-(2-phenylmethoxyphenyl)phenyl]ethanamine
CID 154814748
(3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol
CID 171251128
2-phenylmethoxy-6-(4-propan-2-ylphenyl)benzaldehyde
CID 172993957
6-methyl-2-(1-phenylethyl)-4-(2-phenylethyl)-5-(2-phenylmethoxyphenyl)pyridazin-3-one
CID 69401349
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
3-(4-chlorophenyl)-7-phenylmethoxy-2-propan-2-yl-8-prop-1-enylchromen-4-one
CID 69248491

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-prop-1-enyl-3-pyridinyl]ethanol?
The IUPAC name of 2-[4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-prop-1-enyl-3-pyridinyl]ethanol (CID 67483824) is 2-[4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-prop-1-enyl-3-pyridinyl]ethanol.
What is the SMILES notation for 2-[4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-prop-1-enyl-3-pyridinyl]ethanol?
The canonical SMILES for 2-[4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-prop-1-enyl-3-pyridinyl]ethanol is CC=Cc1c(C(C)C)nc(C(C)C)c(CCO)c1-c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-[4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-prop-1-enyl-3-pyridinyl]ethanol?
The InChIKey is VQQGUFGVAYGMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO2/c1-6-12-24-27(25(17-18-31)29(21(4)5)30-28(24)20(2)3)23-15-10-11-16-26(23)32-19-22-13-8-7-9-14-22/h6-16,20-21,31H,17-19H2,1-5H3.
What are the key properties of 2-[4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-prop-1-enyl-3-pyridinyl]ethanol?
2-[4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-prop-1-enyl-3-pyridinyl]ethanol has a molecular weight of 429.60 g/mol, XLogP of 7.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-prop-1-enyl-3-pyridinyl]ethanol is sourced from PubChem (CID 67483824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).