[2-(4-fluoro-2-phenylmethoxy-3-prop-1-enylphenyl)-4,6-di(propan-2-yl)phenyl]methanol

C29H33FO2 — CID 67483272

IUPAC[2-(4-fluoro-2-phenylmethoxy-3-prop-1-enylphenyl)-4,6-di(propan-2-yl)phenyl]methanol
SMILESCC=Cc1c(F)ccc(-c2cc(C(C)C)cc(C(C)C)c2CO)c1OCc1ccccc1
InChIInChI=1S/C29H33FO2/c1-6-10-24-28(30)14-13-23(29(24)32-18-21-11-8-7-9-12-21)26-16-22(19(2)3)15-25(20(4)5)27(26)17-31/h6-16,19-20,31H,17-18H2,1-5H3
InChIKeyWCUOOPFJVKUTHV-UHFFFAOYSA-N
MW432.58 g/mol
LogP7.84
Rot. Bonds8

About [2-(4-fluoro-2-phenylmethoxy-3-prop-1-enylphenyl)-4,6-di(propan-2-yl)phenyl]methanol

[2-(4-fluoro-2-phenylmethoxy-3-prop-1-enylphenyl)-4,6-di(propan-2-yl)phenyl]methanol (PubChem CID 67483272) has the molecular formula C29H33FO2 and a molecular weight of 432.58 g/mol. Its IUPAC name is [2-(4-fluoro-2-phenylmethoxy-3-prop-1-enylphenyl)-4,6-di(propan-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(4-fluoro-2-phenylmethoxy-3-prop-1-enylphenyl)-4,6-di(propan-2-yl)phenyl]methanol
PubChem CID67483272
Molecular FormulaC29H33FO2
Molecular Weight432.58 g/mol
Exact Mass432.25
IUPAC Name[2-(4-fluoro-2-phenylmethoxy-3-prop-1-enylphenyl)-4,6-di(propan-2-yl)phenyl]methanol
SMILESCC=Cc1c(F)ccc(-c2cc(C(C)C)cc(C(C)C)c2CO)c1OCc1ccccc1
InChIInChI=1S/C29H33FO2/c1-6-10-24-28(30)14-13-23(29(24)32-18-21-11-8-7-9-12-21)26-16-22(19(2)3)15-25(20(4)5)27(26)17-31/h6-16,19-20,31H,17-18H2,1-5H3
InChIKeyWCUOOPFJVKUTHV-UHFFFAOYSA-N
XLogP7.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.58
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(4-fluoro-2-phenylmethoxy-3-prop-1-enylphenyl)-4,6-di(propan-2-yl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenylmethoxy-1-propan-2-yl-3-[(E)-prop-1-enyl]benzene
CID 168954401
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239
1-(3-bromo-4-phenylmethoxy-5-propan-2-ylphenyl)-2,2,2-trifluoroethanol
CID 72705207
1-[4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-[(E)-prop-1-enyl]-3-pyridinyl]ethanol
CID 66576985
benzyl 2-hydroxyacetate;2,4,6-tri(propan-2-yl)benzenesulfonyl chloride
CID 91593273
2-amino-1-[2-fluoro-4,5-bis(phenylmethoxy)phenyl]propan-1-ol
CID 541841
2-[4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-prop-1-enyl-3-pyridinyl]ethanol
CID 67483824
methyl 4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)-5-prop-1-enylpyridine-3-carboxylate
CID 131854388
2-(4-fluoro-2-phenylmethoxyphenyl)-4,6-di(propan-2-yl)-3-propylbenzaldehyde
CID 22004925
4-(chloromethyl)-3-(4-fluorophenyl)-1,2-bis(phenylmethoxy)-5-propan-2-ylbenzene
CID 23352397
1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine
CID 117402181
5-tert-butyl-1-(4-fluorophenyl)-2-phenylmethoxy-3-propan-2-ylbenzene
CID 14515043

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-2-phenylmethoxy-3-prop-1-enylphenyl)-4,6-di(propan-2-yl)phenyl]methanol?
The IUPAC name of [2-(4-fluoro-2-phenylmethoxy-3-prop-1-enylphenyl)-4,6-di(propan-2-yl)phenyl]methanol (CID 67483272) is [2-(4-fluoro-2-phenylmethoxy-3-prop-1-enylphenyl)-4,6-di(propan-2-yl)phenyl]methanol.
What is the SMILES notation for [2-(4-fluoro-2-phenylmethoxy-3-prop-1-enylphenyl)-4,6-di(propan-2-yl)phenyl]methanol?
The canonical SMILES for [2-(4-fluoro-2-phenylmethoxy-3-prop-1-enylphenyl)-4,6-di(propan-2-yl)phenyl]methanol is CC=Cc1c(F)ccc(-c2cc(C(C)C)cc(C(C)C)c2CO)c1OCc1ccccc1.
What is the InChIKey of [2-(4-fluoro-2-phenylmethoxy-3-prop-1-enylphenyl)-4,6-di(propan-2-yl)phenyl]methanol?
The InChIKey is WCUOOPFJVKUTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FO2/c1-6-10-24-28(30)14-13-23(29(24)32-18-21-11-8-7-9-12-21)26-16-22(19(2)3)15-25(20(4)5)27(26)17-31/h6-16,19-20,31H,17-18H2,1-5H3.
What are the key properties of [2-(4-fluoro-2-phenylmethoxy-3-prop-1-enylphenyl)-4,6-di(propan-2-yl)phenyl]methanol?
[2-(4-fluoro-2-phenylmethoxy-3-prop-1-enylphenyl)-4,6-di(propan-2-yl)phenyl]methanol has a molecular weight of 432.58 g/mol, XLogP of 7.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-2-phenylmethoxy-3-prop-1-enylphenyl)-4,6-di(propan-2-yl)phenyl]methanol is sourced from PubChem (CID 67483272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).